SCHEMBL4378968

SCHEMBL4378968

COC(=O)CC(N)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.48
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MPO P05164 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 1/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
DPP4 P27487 1/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL2887929 0.83 ALDH1A1 (0.43) KDM4ELMNAMAPTCYP19A1ALDH1A1
SCHEMBL1144412 0.82 ALDH1A1 (0.51) KCNA5CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL167043 0.82 ALDH1A1 (0.51) KCNA5CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL476790 0.82 ALDH1A1 (0.51) KCNA5CYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL28275305 0.82 LMNA (0.38) KCNA5CYP2D6LMNADPP4CYP19A1
SCHEMBL28274163 0.82 LMNA (0.38) KCNA5CYP2D6LMNADPP4CYP19A1
SCHEMBL6954924 0.81 KCNA5 (0.56) KCNA5KDM4ELMNAALDH1A1
SCHEMBL2298713 0.81 KCNA5 (0.56) KCNA5KDM4ELMNAALDH1A1
SCHEMBL5720902 0.81 CYP19A1 (0.42) CYP3A4CYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL5929596 0.81 KCNA5 (0.49) KCNA5CYP3A4CYP2C19MAPTRAB9A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
CN-101186612-B Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOGY CO LTD 2012-10-03 CN disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed
CN-101186612-A Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOG (CN) 2008-05-28 CN disclosed
US-7312230-B2 Carboxylic acid derivatives as IP antagonists ROCHE PALO ALTO LLC (US) 2007-12-25 US disclosed
US-7056903-B2 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC (US) 2006-06-06 US disclosed
US-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases COURNOYER RICHARD L 2006-02-16 US disclosed
EP-1102766-B1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO MCNEIL PHARM INC (US) 2004-03-31 EP disclosed
US-6693098-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIVES CONTAINING CARBAMATE GROUPS ARE USEFUL FOR TREATING THE CONDITIONS ASSOCIATED WITH THE URINARY TRACT, PAIN, INFLAMMATION, RESPIRATORY STATES, EDEMA FORMATION OF HYPOTENSIVE VASCULAR DISEASES SYNTEX (U.S.A) LLC 2004-02-17 US disclosed
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists COURNOYER RICHARD LEO (US) 2003-11-27 US disclosed
EP-1265853-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2002-12-18 EP disclosed
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists SYNTEX (U.S.A.) LLC 2001-12-27 US disclosed
CN-1320125-A Trizolopyridines for the treamtent of thrombosis disorders ORTHO MCNEIL PHARM INC (US) 2001-10-31 CN disclosed
US-6303625-B1 FIBRINOGEN RECEPTOR ANTAGONISTS WHICH INHIBIT PLATELET AGGREGATION AND ARE USEFUL IN TREATING THROMBOTIC DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-10-16 US disclosed
WO-2001068591-A1 CARBOXYLIC ACID DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-09-20 WO disclosed
EP-1102766-A1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS Ortho-McNeil Pharmaceutical, Inc. (US) 2001-05-30 EP disclosed
WO-2000006570-A1 TRIAZOLOPYRIDINES FOR THE TREATMENT OF THROMBOSIS DISORDERS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-02-10 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 (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-20060035870-A1 2-[4-(1H-Indol-4-yloxymethyl)-benzyloxycarbonylamino]-3-phenyl-propionic acid; 3-Phenyl-2-[4-(quinolin-5-yloxymethyl)-benzyloxycarbonylamino]-propionic acid; urinary tract, pain, inflammation, respiratory states, edema formation, or hypotensive vascular diseases AGTR1, AGTR2, PTGIR KCNA5 227/4885CYP3A4 585/4885CYP2C19 785/4885
US-20030220367-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KCNA5 650/4885CYP3A4 780/4885CYP2C19 1090/4885
US-20010056100-A1 Carboxylic acid derivatives as IP antagonists GABRP, GPBAR1, FFAR1 KCNA5 692/4885CYP3A4 735/4885CYP2C19 990/4885

“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.