SCHEMBL8239806

SCHEMBL8239806

CCC(CC)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GABBR2 O75899 6/20 0.44
GABBR1 Q9UBS5 6/20 0.44
LMNA P02545 5/20 0.44
CYP2C9 P11712 2/20 0.44
CYP1A2 P05177 2/20 0.44
THRB P10828 2/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6278627 0.86 GABBR2 (0.56) ADRB2ADRA2AADRA2BADRA2CTSHR
SCHEMBL19987462 0.86 ESR1 (0.44) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL27754040 0.86 ADRB2 (0.41) ADRB2ADRA2AADRA2BADRA2CTSHR
SCHEMBL24597837 0.86 ESR1 (0.44) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL19803301 0.86 GABBR2 (0.56) ADRB2ADRA2AADRA2BADRA2CTSHR
SCHEMBL24597751 0.86 ESR1 (0.44) ADRB2TSHRMAPK1HIF1ATDP1
SCHEMBL11225092 0.86 GABBR2 (0.43) ADRB2ADRA2AADRA2BADRA2CHDAC8
SCHEMBL19803214 0.86 GABBR2 (0.56) ADRB2ADRA2AADRA2BADRA2CTSHR
SCHEMBL823013 0.84 HDAC8 (0.56) HDAC8HDAC6TSHRMAPK1GABBR2
SCHEMBL20083457 0.83 NR1I2 (0.50) ADRB2TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2023-05-11 US disclosed
WO-2022144920-A1 ATOVAQUONE PRODRUGS IPCA LABORATORIES LIMITED (IN) 2022-07-07 WO disclosed
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators DICE ALPHA, INC. (US) 2022-03-15 US disclosed
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-08-03 US disclosed
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2021-07-08 US disclosed
US-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE Phenex Discovery Verwaltungs-GmbH (DE) 2021-04-29 US disclosed
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS UNIVERSITY OF MARYLAND, BALTIMORE 2020-10-22 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-8048903-B2 5-iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2011-11-01 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-7803804-B2 Substituted pyrazines for use in the treatment of inflammatory or allergic conditions NOVARTIS AG (CH) 2010-09-28 US disclosed
US-20090036506-A1 5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
US-20090036506-A1 5-Iodotetrazoles LANXESS DEUTSCHLAND GMBH (DE) 2009-02-05 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1773125-B1 5-IODOTETRAZOLES LANXESS DEUTSCHLAND GMBH (DE) 2008-05-21 EP disclosed
WO-2007064914-A2 5-(ARYLSULFONYL)-PYRAZOLOPIPERIDINES ELAN PHARMACEUTICALS, INC. (US) 2007-06-07 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-20210122757-A1 SPIROCYCLIC COMPOUNDS AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 ADRB2 73/4885ADRA2A 105/4885ADRA2B 277/4885
US-20230140941-A1 NON-ATP/CATALYTIC SITE P38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 ADRB2 3842/4885ADRA2A 2942/4885ADRA2B 3334/4885
US-11078171-B2 Non-ATP/catalytic site p38 mitogen activated protein kinase inhibitors MAPK1, MAPK8, MAPK4 ADRB2 3462/4885ADRA2A 3545/4885ADRA2B 3485/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADRB2 393/4885ADRA2A 324/4885ADRA2B 459/4885
US-20210205305-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A ADRB2 393/4885ADRA2A 324/4885ADRA2B 459/4885
US-11274094-B2 Substituted benzenecarboxamides as IL-17A modulators IL17A, IL23R, IL18 ADRB2 1742/4885ADRA2A 2652/4885ADRA2B 1573/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 ADRB2 2128/4885ADRA2A 1812/4885ADRA2B 2385/4885
US-20090036506-A1 5-Iodotetrazoles GPX4, CYP1A1, CYP2E1 ADRB2 1518/4885ADRA2A 2260/4885ADRA2B 2286/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADRB2 393/4885ADRA2A 324/4885ADRA2B 459/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 ADRB2 69/4885ADRA2A 58/4885ADRA2B 121/4885
US-20200331874-A1 NON-ATP/CATALYTIC SITE p38 MITOGEN ACTIVATED PROTEIN KINASE INHIBITORS MAPK1, MAPK8, MAPK4 ADRB2 3462/4885ADRA2A 3545/4885ADRA2B 3485/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ADRB2 393/4885ADRA2A 324/4885ADRA2B 459/4885

“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.