SCHEMBL10274869

SCHEMBL10274869

CCC(C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
HTR2A P28223 2/20 0.50
HTR2B P41595 2/20 0.50
HTR2C P28335 1/20 0.50
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SLC6A4 P31645 2/20 0.47
SIGMAR1 Q99720 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24779791 1.00 PNMT (0.53) PNMTHTR2AHTR2BHTR2CHDAC4
SCHEMBL25894263 1.00 PNMT (0.53) PNMTHTR2AHTR2BHTR2CHDAC4
SCHEMBL12074843 0.87 HDAC4 (0.47) PNMTHTR2AHTR2BHTR2CHDAC4
SCHEMBL17149560 0.86 PNMT (0.47) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL7929105 0.86 PNMT (0.50) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL19656828 0.84 PNMT (0.51) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL29949259 0.84 PNMT (0.56) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL4617152 0.84 PNMT (0.65) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL24779826 0.84 PNMT (0.65) PNMTHTR2AHTR2BHTR2CSLC6A4
SCHEMBL25853626 0.84 PNMT (0.56) PNMTHTR2AHTR2BHTR2CSLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS CORCEPT THERAPEUTICS INCORPORATED 2023-08-03 US disclosed
EP-3849968-B1 1H-INDAZOLE CARBOXAMIDES AS RECEPTOR-INTERACTING PROTEIN KINASE 1 INHIBITORS (RIPK1) BRISTOL MYERS SQUIBB CO (US) 2022-12-21 EP disclosed
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-07-13 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-05-27 US disclosed
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2021-03-04 US disclosed
US-20210040097-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF TEON THERAPEUTICS, INC. 2021-02-11 US disclosed
EP-3226858-B1 IMIDAZOLE-BASED ANTIMICROBIAL AGENTS PROCOMCURE BIOTECH GMBH (AT) 2021-02-03 EP disclosed
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2020-12-08 US disclosed
US-10710995-B2 Inhibitors of β-hydroxylase for treatment of cancer RHODE ISLAND HOSPITAL (US) 2020-07-14 US disclosed
US-8476621-B2 Resin composition, gate insulating layer, and organic thin film transistor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-02 US disclosed
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. 2012-02-02 US disclosed
US-20110193071-A1 RESIN COMPOSITION, GATE INSULATING LAYER, AND ORGANIC THIN FILM TRANSISTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-11 US disclosed
EP-2287162-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed
EP-2287161-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of cns disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-23 EP disclosed
EP-2284169-A1 Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders Otsuka Pharmaceutical Co., Limited (JP) 2011-02-16 EP disclosed
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS KATTAR SOLOMON 2010-08-26 US disclosed
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-01-31 US disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216796-A1 N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS BRDT, AADAC, ACIN1 PNMT 842/4885HTR2A 1316/4885HTR2B 1129/4885
US-11059796-B2 Aryl dihydro-2H benzo[b][1,4]oxazine sulfonamide and related compounds for use as agonists of RORγ and the treatment of disease RORB, RORA, RORC PNMT 4829/4885HTR2A 1303/4885HTR2B 1154/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A PNMT 107/4885HTR2A 14/4885HTR2B 18/4885
US-20120028920-A1 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZO[B]THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS GRIN2C, GRIN2B, PMP22 PNMT 71/4885HTR2A 92/4885HTR2B 22/4885
US-20080027067-A1 Heterocyclic derivatives as modulators of ion channels TRPV1, KCNJ2, KCNN3 PNMT 1947/4885HTR2A 457/4885HTR2B 695/4885
US-20210155604-A1 QUINAZOLINE COMPOUND SERVING AS EGFR TRIPLE MUTATION INHIBITOR AND APPLICATIONS THEREOF EGFR, ERBB2, ERBB4 PNMT 4081/4885HTR2A 1398/4885HTR2B 2418/4885
US-20230242514-A1 BICYCLIC INDAZOLE GLUCOCORTICOID RECEPTOR ANTAGONISTS NR3C1, NR3C2, NR1I2 PNMT 4670/4885HTR2A 360/4885HTR2B 421/4885
US-10858339-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK PNMT 4001/4885HTR2A 2748/4885HTR2B 4308/4885
US-10710995-B2 Inhibitors of β-hydroxylase for treatment of cancer ASPH, CYP46A1, AHR PNMT 1010/4885HTR2A 2047/4885HTR2B 1602/4885
US-20210040097-A1 ADENOSINE RECEPTOR ANTAGONISTS AND USES THEREOF ADORA2A, ADORA2B, ADORA3 PNMT 1767/4885HTR2A 29/4885HTR2B 43/4885
US-20120309963-A1 5-CYANO-4- (PYRROLO [2,3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS MAP3K5, CDK5, MAP4K2 PNMT 2273/4885HTR2A 3429/4885HTR2B 3187/4885
US-20210061778-A1 ARYL DIHYDRO-2H BENZO[B][1,4]OXAZINE SULFONAMIDE AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORY AND THE TREATMENT OF DISEASE RORB, RORA, RORC PNMT 4786/4885HTR2A 950/4885HTR2B 1121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.