SCHEMBL1004804

SCHEMBL1004804

NC1CCc2ccc(Cl)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.47
HTR2B P41595 6/20 0.47
HTR2A P28223 5/20 0.47
SLC6A4 P31645 2/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CNR1 P21554 1/20 0.47
SLC6A2 P23975 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
ACHE P22303 4/20 0.45
KDM1A O60341 4/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
ALOX12 P18054 2/20 0.43
TRPM8 Q7Z2W7 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL7895243 1.00 HTR2C (0.47) HTR2CHTR2BHTR2ASLC6A4ADRB1
Hydrochloric Acid SCHEMBL1272912 0.98 ACHE (0.48) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL1719705 0.88 ACHE (0.49) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL1061934 0.88 ACHE (0.49) HTR2CHTR2BHTR2ASLC6A4ADRB1
Hydrochloric Acid SCHEMBL1002239 0.86 ACHE (0.48) HTR2CHTR2BHTR2ASLC6A4ADRB1
Hydrochloric Acid SCHEMBL1066112 0.86 ACHE (0.48) HTR2CHTR2BHTR2ASLC6A4ADRB1
SCHEMBL1859026 0.86 SRD5A1 (0.47) HTR2CHTR2BHTR2ASLC6A4KDM1A
SCHEMBL192318 0.86 SRD5A1 (0.47) HTR2CHTR2BHTR2ASLC6A4KDM1A
SCHEMBL29443582 0.86 SRD5A1 (0.47) HTR2CHTR2BHTR2ASLC6A4KDM1A
SCHEMBL1857673 0.86 SRD5A1 (0.47) HTR2CHTR2BHTR2ASLC6A4KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-12 US claimed
US-9856220-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2018-01-02 US claimed
EP-2780324-B1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBVIE DEUTSCHLAND (DE) 2017-05-17 EP claimed
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. 2016-11-03 US claimed
EP-2780324-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A Abbvie Deutschland GmbH & Co. KG (DE) 2014-09-24 EP claimed
WO-2013068489-A1 HETEROCYCLIC CARBOXAMIDES USEFUL AS INHIBITORS OF PHOSPHODIESTERASE TYPE 10A ABBOTT GMBH & CO. KG (DE) 2013-05-16 WO claimed
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A ABBVIE INC. (US) 2013-05-09 US claimed
WO-2023166067-A1 MICROBIOCIDAL PYRIDAZINONE AMIDE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-09-07 WO disclosed
WO-2023118011-A1 MICROBIOCIDAL AZA-HETEROBIARYL DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-06-29 WO disclosed
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A AbbVie Deutschland GmbH & Co. KG (DE) 2019-06-04 US disclosed
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD TAKEDA CALIFORNIA, INC. 2018-07-05 US disclosed
EP-3336084-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE DERIVATIVES AND THEIR USE AS PHD INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2018-06-20 EP disclosed
US-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES ALLERGAN, INC. 2008-10-16 US disclosed
US-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed
CN-1038928-C Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMA (NL) 1998-07-01 CN disclosed
EP-0538134-B1 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMA (IL) 1997-03-12 EP disclosed
US-5486541-A FOR TREATING PARKINSON*S DISEASE, MEMORY DISORDERS, ALZHEIMER*S DISEASE, DEPRESSION OR HYPERACTIVE SYNDROME TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-01-23 US disclosed
CN-1073427-A Phenyl ring list fluorizated N-propargyl-1-aminoidan reaches the selective depressant as monoamine oxidase (MAO) TEVA PHARMA (IL) 1993-06-23 CN disclosed
EP-0538134-A2 Mono-fluorinated derivatives of N-propargyl-1-aminoindan and their use as inhibitors of monoamine oxidase TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1993-04-21 EP 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 (7 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-20080255230-A1 THERAPEUTIC FLUOROETHYLCYANO GUANIDINES PDE3A, PDE2A, PDE3B HTR2C 582/4885HTR2B 412/4885HTR2A 369/4885
US-20180186772-A1 6-(5-HYDROXY-1H-PYRAZOL-1-YL)NICOTINAMIDE INHIBITORS OF PHD HIF1AN, EGLN3, EGLN2 HTR2C 3440/4885HTR2B 3417/4885HTR2A 3679/4885
US-20160318871-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B HTR2C 86/4885HTR2B 61/4885HTR2A 136/4885
US-10308610-B2 Inhibitor compounds of phosphodiesterase type 10A PDE3A, PDE5A, PDE3B HTR2C 78/4885HTR2B 45/4885HTR2A 115/4885
US-20130116229-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE7A, PDE5A, PDE2A HTR2C 610/4885HTR2B 216/4885HTR2A 256/4885
US-20180099936-A1 NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A PDE3A, PDE5A, PDE3B HTR2C 88/4885HTR2B 65/4885HTR2A 138/4885
US-10407409-B2 6-(5-hydroxy-1H-pyrazol-1-yl)nicotinamide inhibitors of PHD HIF1AN, EGLN3, EGLN2 HTR2C 3440/4885HTR2B 3417/4885HTR2A 3679/4885

“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.