SCHEMBL5879346

SCHEMBL5879346

C=CCC(C#N)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.43
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
HPGD P15428 1/20 0.31
ESR1 P03372 3/20 0.31

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
SCHEMBL6955815 0.84 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4AHRLMNA
SCHEMBL10990350 0.82 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL18386352 0.81 L3MBTL1 (0.46) ATML3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL8332289 0.79 HPGD (0.39) ATML3MBTL1CYP1A2CYP3A4CYP2C19
SCHEMBL30021683 0.77 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL10667194 0.76 SLC6A2 (0.38) SLC6A3SLC6A2SLC6A4CYP1A2CYP3A4
SCHEMBL17109517 0.75 ESR2 (0.38) ATML3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL6122435 0.75 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4AHRLMNA
SCHEMBL5879335 0.74 ESR1 (0.37) ATML3MBTL1CYP1A2CYP3A4CYP2C9
SCHEMBL11149256 0.74 ESR1 (0.58) SLC6A3SLC6A2CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034056-B2 Aryl and biaryl compounds having MCH modulatory activity PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-04-25 US disclosed
EP-0994876-B1 QUATERNARY AMMONIUM COMPOUNDS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2004-09-08 EP disclosed
EP-1370520-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2003-12-17 EP disclosed
EP-0790248-B1 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists PFIZER LTD (GB) 2003-05-28 EP disclosed
EP-0791592-B1 Azetidines PFIZER LTD (GB) 2003-05-21 EP disclosed
US-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity SCHERING CORPORATION 2003-05-15 US disclosed
EP-0871623-B1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2003-02-12 EP disclosed
WO-2002076929-A1 ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY PHARMACOPEIA, INC. (US) 2002-10-03 WO disclosed
EP-0888337-B1 PIPERIDONE TACHYKININ ANTAGONISTS PFIZER RES & DEV (IE) 2002-06-05 EP disclosed
US-6380396-B1 CHEMICAL INTERMEDIATES FOR ANTIINFLAMMATORY AGENTS PFIZER INC. 2002-04-30 US disclosed
US-6022971-A Azetidines PFIZER INC (US) 2000-02-08 US disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
US-5846965-A 3-aza and 3-oxa piperidone tachykinin antagonists PFIZER INC. (US) 1998-12-08 US disclosed
EP-0871623-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS Pfizer Research and Development Company, N.V./S.A. (IE) 1998-10-21 EP disclosed
US-5741790-A Azetidines PFIZER INC. (US) 1998-04-21 US disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed
EP-0791592-A2 Azetidines Pfizer Limited (GB) 1997-08-27 EP disclosed
EP-0790248-A1 3-Aza-piperidone- (tetrahydropyrimidin-2-one) and 3-oxa-piperidone (1,3 oxazin-2-one) derivatives, their preparation and their use as tachykinin/neurokinin antagonists Pfizer Limited (GB) 1997-08-20 EP disclosed
WO-1997025322-A1 3-AZETIDINYLALKYLPIPERIDINES OR -PYRROLIDINES AS TACHYKININ ANTAGONISTS PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-07-17 WO disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 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-20030092715-A1 Aryl and biaryl compounds having MCH modulatory activity MCHR1, MCHR2, MC3R SLC6A3 889/4885SLC6A2 641/4885SLC6A4 1047/4885

“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.