SCHEMBL172790

SCHEMBL172790

NCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.71
HTR2A P28223 2/20 0.71
CYP2A6 P11509 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
LOXL2 Q9Y4K0 1/20 0.71
MAOB P27338 12/20 0.62
HTR6 P50406 1/20 0.55
BACE1 P56817 1/20 0.55

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
Hydrochloric Acid SCHEMBL2538131 0.98 TAAR1 (0.68) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Putrescine SCHEMBL27220945 0.93 HTR2A (0.65) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Boric Acid SCHEMBL27782268 0.91 TAAR1 (0.60) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL6532602 0.89 MAOB (0.73) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Acetic Acid SCHEMBL4653250 0.88 FFAR1 (0.58) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Beta-Alanine SCHEMBL27220937 0.86 FFAR1 (0.72) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL416652 0.86 MAOA (0.64) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL1047500 0.84 TAAR1 (0.89) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
SCHEMBL8911924 0.84 MAOA (0.75) TAAR1HTR2ACYP2A6SMN1; SMN2LOXL2
Phenethylamine SCHEMBL1331271 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108586579-B Quasi-peptide, derivative, salt, preparation method and application thereof 京东方科技集团股份有限公司 2021-11-30 CN claimed
US-10941180-B2 Peptoid compound, and derivative, salt, preparation method and use thereof BOE TECHNOLOGY GROUP CO., LTD. (CN) 2021-03-09 US claimed
US-20190345198-A1 PEPTOID COMPOUND, AND DERIVATIVE, SALT, PREPARATION METHOD AND USE THEREOF BOE TECHNOLOGY GROUP CO., LTD. (CN) 2019-11-14 US claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
EP-1986996-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST Abiogen Pharma S.p.A. (IT) 2008-11-05 EP claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
WO-2007088571-A2 A PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2007-08-09 WO claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed

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

For each of this compound's patents that has machine-readable text (6 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 TAAR1 2968/4885HTR2A 2196/4885CYP2A6 1723/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 TAAR1 2591/4885HTR2A 289/4885CYP2A6 1556/4885
US-10941180-B2 Peptoid compound, and derivative, salt, preparation method and use thereof PNMT, VIP, DNPEP TAAR1 2738/4885HTR2A 1415/4885CYP2A6 4303/4885
US-20190345198-A1 PEPTOID COMPOUND, AND DERIVATIVE, SALT, PREPARATION METHOD AND USE THEREOF PNMT, VIP, DNPEP TAAR1 2738/4885HTR2A 1415/4885CYP2A6 4303/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE TAAR1 2579/4885HTR2A 3270/4885CYP2A6 859/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 TAAR1 2558/4885HTR2A 2298/4885CYP2A6 2142/4885

“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.