SCHEMBL294970

SCHEMBL294970

NCC1(c2ccccc2)CCC1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.91
MAOA P21397 1/20 0.83
MAOB P27338 1/20 0.83
TAAR1 Q96RJ0 1/20 0.83
SLC6A3 Q01959 11/20 0.69
SLC6A4 P31645 11/20 0.69
SLC6A2 P23975 4/20 0.69

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 SCHEMBL6809124 0.98 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
Water SCHEMBL7260926 0.98 DPP4 (0.88) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL294582 0.95 DPP4 (1.00) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL294761 0.93 DPP4 (0.96) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6809143 0.93 DPP4 (0.96) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL3520274 0.91 DPP4 (0.92) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL1492704 0.91 MAOB (1.00) DPP4MAOAMAOBTAAR1SLC6A3
Carbamic Acid SCHEMBL10009301 0.90 DPP4 (0.75) DPP4MAOAMAOBTAAR1SLC6A3
Hydrochloric Acid SCHEMBL6813615 0.88 MAOB (0.95) DPP4MAOAMAOBTAAR1SLC6A3
SCHEMBL17906490 0.88 SLC6A3 (0.89) 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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103002897-B Certain amino-pyridazines, compositions thereof, and methods of use thereof 赛特凯恩蒂克公司 2017-06-09 CN claimed
EP-2797870-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING 1-[1-PHENYL-CYCLOBUTYL]ISOBUTYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2019-02-20 EP disclosed
US-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives Revivia Pharmaceuticals, Inc. (US) 2018-07-31 US disclosed
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2018-05-10 US disclosed
US-9695116-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
CN-103145715-B Huge ring carboxylic acid and acyl sulfonamides as HCV replication inhibitors F·霍夫曼-罗须公司 2016-08-03 CN disclosed
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-04-28 US disclosed
US-9296681-B2 Cycloalkylmethylamines REVIVA PHARMACEUTICALS, INC. (US) 2016-03-29 US disclosed
US-9238625-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2016-01-19 US disclosed
US-9096515-B2 Methods of using cycloalkylmethylamine derivatives REVIVA PHARMACEUTICALS, INC. (US) 2015-08-04 US disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1998034921-A1 BICYCLIC INHIBITORS OF PROTEIN FARNESYL TRANSFERASE WARNER-LAMBERT COMPANY (US) 1998-08-13 WO disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 WO disclosed
US-5476846-A Administering anti-thrombotic and anti-asthmatic agent LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-12-19 US disclosed
US-5387709-A Bronchodilator agents, anticoagulants, vasodilation LIPHA LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1995-02-07 US disclosed
EP-0472449-B1 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA (FR) 1994-09-14 EP disclosed
EP-0472449-A2 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-02-26 EP disclosed
US-4755594-A N6 -substituted adenosines WARNER-LAMBERT COMPANY (US) 1988-07-05 US disclosed
EP-0232813-A2 N6-substituted Adenosines WARNER-LAMBERT COMPANY (US) 1987-08-19 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 (3 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-10035761-B2 Compositions, synthesis, and methods of using phenylcycloalkylmethylamine derivatives PNMT, HTR6, COMT DPP4 95/4885MAOA 36/4885MAOB 64/4885
US-20160115121-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT DPP4 95/4885MAOA 36/4885MAOB 64/4885
US-20180127362-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PHENYLCYCLOALKYLMETHYLAMINE DERIVATIVES PNMT, HTR6, COMT DPP4 95/4885MAOA 36/4885MAOB 64/4885

“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.