SCHEMBL3017956

SCHEMBL3017956

CC[C@@H](N)Cc1sccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.37
SLC6A4 P31645 3/20 0.37
HTR2A P28223 2/20 0.36
ALDH1A1 P00352 1/20 0.32
KEAP1 Q14145 1/20 0.32
PNMT P11086 1/20 0.31
ALOX5 P09917 1/20 0.30

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
SCHEMBL6220505 1.00 SLC6A3 (0.37) SLC6A3SLC6A4HTR2AALDH1A1KEAP1
Hydrochloric Acid SCHEMBL6718129 0.98 SLC6A3 (0.36) SLC6A3SLC6A4HTR2AALDH1A1KEAP1
Hydrochloric Acid SCHEMBL27452976 0.98 SLC6A3 (0.36) SLC6A3SLC6A4HTR2AALDH1A1KEAP1
SCHEMBL13692462 0.81 PNMT (0.44) SLC6A3SLC6A4PNMT
SCHEMBL6640956 0.81 PNMT (0.44) SLC6A3SLC6A4PNMT
SCHEMBL3060436 0.81 PNMT (0.44) SLC6A3SLC6A4PNMT
SCHEMBL3017954 0.78 SLC6A3 (0.37) SLC6A3ALDH1A1
SCHEMBL22863972 0.76 SLC6A3 (0.41) SLC6A3ALDH1A1KEAP1PNMT
SCHEMBL13211949 0.75 ALDH1A1 (0.43) SLC6A3SLC6A4ALDH1A1
SCHEMBL7812782 0.74 SLC6A4 (0.34) SLC6A4HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US claimed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP claimed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO claimed
EP-1609791-A1 Preparation of [1S-[1a,2b,3b,4a(S*)]]-4-[7-[[1-(3-Chloro-2-thienyl)methy]propy]amino]-3H-imidazo[4,5-b]pyridin-3-y]-N-ethyl-2,3-dihydroxycyclopentanecarboxamide Aventis Pharmaceuticals Inc. (US) 2005-12-28 EP claimed
EP-0946550-A4 PREPARATION OF 1S- 1a,2b,3b,4a(S*)]]-4- 7- 1-(3-CHLORO-2-THIENYL) METHYL]PROPYL]AMINO]-3H-IMIDAZO 4,5-b]PYRIDIN-3-yl]-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE AVENTIS PHARM PROD INC (US) 2003-05-14 EP claimed
EP-1175420-B1 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES AVENTIS PHARMA INC (US) 2003-03-26 EP claimed
EP-1175420-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2002-01-30 EP claimed
CN-1333773-A Process for preparing N6-substituted deaza-adenosine derivatives AVENTIS PHARM PROD INC (US) 2002-01-30 CN claimed
US-6184382-B1 4-(7-((1-((3-CHLOROTHIEN-2-YL)METHYL)PROPYL)AMINO)-3H-IMIDAZO (4, 5-B)PYRID-3-YL) N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE ARE USEFUL AS CARDIOVASCULAR AGENTS, ANTIHYPERTENSIVE, ANTI-ISCHEMIC AGENTS, AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-02-06 US claimed
US-6143894-A Preparation of [1S-[1A,2B,3B,4A(S*)]]-4-[7-[[1-(3-chloro-2-thienyl)methyl propyl]amino] -3H-imidazo[4,5-B]pyridin-3-yl]-N-ethyl-2,3-dihydroxycyclopentanecarboxa mide AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-11-07 US claimed
WO-2000037469-A2 PROCESS FOR PREPARING N6-SUBSTITUTED DEAZA-ADENOSINE DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-06-29 WO claimed
EP-0946550-A1 PREPARATION OF 1S- 1a,2b,3b,4a(S*)]]-4- 7- 1-(3-CHLORO-2-THIENYL) METHYL]PROPYL]AMINO]-3H-IMIDAZO 4,5-b]PYRIDIN-3-yl]-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP claimed
WO-1998025921-A1 PREPARATION OF [1S-[1a,2b,3b,4a(S*)]]-4-[7-[[1-(3-CHLORO-2-THIENYL) METHYL]PROPYL]AMINO]-3H-IMIDAZO[4,5-b]PYRIDIN-3-yl]-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO claimed
US-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands NOVARTIS AG (CH) 2010-08-05 US disclosed
EP-2205601-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS Novartis Ag (CH) 2010-07-14 EP disclosed
WO-2009050199-A1 PURINE DERIVATIVES AS ADENOSINE AL RECEPTOR LIGANDS NOVARTIS AG (CH) 2009-04-23 WO disclosed
EP-0946550-A1 PREPARATION OF 1S- 1a,2b,3b,4a(S*)]]-4- 7- 1-(3-CHLORO-2-THIENYL) METHYL]PROPYL]AMINO]-3H-IMIDAZO 4,5-b]PYRIDIN-3-yl]-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-10-06 EP disclosed
EP-0942900-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-09-22 EP disclosed
WO-1998025921-A1 PREPARATION OF [1S-[1a,2b,3b,4a(S*)]]-4-[7-[[1-(3-CHLORO-2-THIENYL) METHYL]PROPYL]AMINO]-3H-IMIDAZO[4,5-b]PYRIDIN-3-yl]-N-ETHYL-2,3-DIHYDROXYCYCLOPENTANECARBOXAMIDE RHÔNE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-06-18 WO disclosed
WO-1998011064-A1 STEREOSPECIFIC PREPARATION OF CHIRAL 1-ARYL- AND 1-HETEROARYL-2-SUBSTITUTED ETHYL-2-AMINES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-03-19 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 (1 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-20100197914-A1 Purine Derivatives as Adenosine Al Receptor Ligands ADORA2A, ADORA1, ADORA3 SLC6A3 1246/4885SLC6A4 684/4885HTR2A 181/4885

“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.