SCHEMBL294761

SCHEMBL294761

NCC1(c2ccccc2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.96
MAOA P21397 1/20 0.79
MAOB P27338 1/20 0.79
TAAR1 Q96RJ0 1/20 0.79
SLC6A3 Q01959 12/20 0.79
SLC6A4 P31645 12/20 0.79
SLC6A2 P23975 6/20 0.79

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 SCHEMBL3520274 0.98 DPP4 (0.92) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL294582 0.98 DPP4 (1.00) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6809143 0.96 DPP4 (0.96) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL294970 0.93 DPP4 (0.91) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6809124 0.91 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
Water SCHEMBL7260926 0.91 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL1492704 0.89 MAOB (1.00) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL3516310 0.88 SLC6A3 (1.00) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6813615 0.86 MAOB (0.95) DPP4MAOAMAOBTAAR1SLC6A3
Carbamic Acid SCHEMBL10009301 0.84 DPP4 (0.75) DPP4MAOAMAOBTAAR1SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
CN-100379719-C Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENENTHAL GMBH (DE) 2008-04-09 CN claimed
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2007-05-10 US claimed
US-7125848-B2 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2006-10-24 US claimed
US-7041704-B2 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. (US) 2006-05-09 US claimed
EP-1596844-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS Dynogen Pharmaceuticals Inc. (US) 2005-11-23 EP claimed
EP-1246793-B1 SUBSTITUTED AMINOMETHYL-PHENYL-CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2004-11-10 EP claimed
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-28 US claimed
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators DYNOGEN PHARMACEUTICALS, INC. 2004-10-21 US claimed
WO-2004066987-A2 USE OF SODIUM CHANNEL MODULATORS FOR TREATING GASTROINTESTINAL TRACT DISORDERS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO claimed
WO-2004066990-A2 METHODS OF TREATING LOWER URINARY TRACT DISORDERS USING SODIUM CHANNEL MODULATORS DYNOGEN PHARMACEUTICALS, INC. (US) 2004-08-12 WO claimed
US-6673794-B2 ANALGESICS, INCOTINENCE, SKIN DISORDERS, ANTIINFLAMMATORY AGENTS GRUENENTHAL GMBH (DE) 2004-01-06 US claimed
CN-1437576-A Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENENTHAL GMBH (DE) 2003-08-20 CN claimed
US-20030069288-A1 Substituted aminomethyl-phenyl-cyclohexane derivatives GRUENETHAL GMBH (DE) 2003-04-10 US claimed
EP-1019367-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-07-19 EP claimed
WO-1999007672-A1 DERIVATIVES OF 2,5- AND 3,5-DISUBSTITUTED ANILINES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-02-18 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 (5 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-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 DPP4 1268/4885MAOA 1301/4885MAOB 1229/4885
US-20070105785-A1 Methods of treating non-inflammatory gastrointestinal tract disorders using Cav2.2 subunit calcium channel modulators CACNB2, RYR2, FABP2 DPP4 1254/4885MAOA 3275/4885MAOB 2755/4885
US-20040213842-A1 Methods of treating gastrointestinal tract disorders using sodium channel modulators SLC10A2, VIPR2, TRPV1 DPP4 853/4885MAOA 995/4885MAOB 987/4885
US-20030069288-A1 Substituted aminomethyl-phenyl-cyclohexane derivatives PTGER1, CYP2E1, HRH2 DPP4 2009/4885MAOA 145/4885MAOB 309/4885
US-20040209960-A1 Methods of treating lower urinary tract disorders using sodium channell modulators CACNA1G, CACNA1D, CACNA1B DPP4 1014/4885MAOA 983/4885MAOB 845/4885

“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.