SCHEMBL5380220

SCHEMBL5380220

Cc1cccc(C#CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.54
FFAR4 Q5NUL3 1/20 0.49
GRM5 P41594 5/20 0.49
VCP P55072 1/20 0.47
EGLN1 Q9GZT9 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL6752278 0.85 FFAR1 (0.50) FFAR1FFAR4GRM5VCPEGLN1
SCHEMBL5592873 0.82 VCP (0.68) FFAR1FFAR4GRM5VCPNPSR1
SCHEMBL31614569 0.82 VCP (0.68) FFAR1FFAR4GRM5VCPNPSR1
SCHEMBL28119432 0.79 FFAR1 (0.47) FFAR1VCPNPSR1
SCHEMBL5593355 0.79 VCP (0.73) FFAR1FFAR4GRM5VCPNPSR1
SCHEMBL29961750 0.79 FFAR1 (0.49) FFAR1FFAR4GRM5VCPEGLN1
SCHEMBL28506510 0.79 FFAR1 (0.49) FFAR1FFAR4GRM5VCPEGLN1
SCHEMBL30469481 0.79 GRM5 (0.69) FFAR1FFAR4GRM5
SCHEMBL30469478 0.79 GRM5 (0.69) FFAR1FFAR4GRM5
SCHEMBL4562089 0.79 GRM5 (0.69) FFAR1FFAR4GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP claimed
JP-2002537300-A 2002-11-05 JP claimed
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments NOVARTIS AG (CH) 2002-02-07 US claimed
EP-1153024-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2001-11-14 EP claimed
WO-2000049018-A1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2000-08-24 WO claimed
CN-107353194-A A kind of preparation method of propine acid compounds 大连理工大学 2017-11-17 CN disclosed
US-7300939-B2 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-11-27 US disclosed
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 US disclosed
CN-1217943-C New use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2005-09-07 CN disclosed
US-6767906-B2 INHIBIT P34CDC2/CYCLIN BCDC13 KINASE AND PROTEIN TYROSINE KINASE PP60C-SRC AND CAN BE USED FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES, FOR EXAMPLE CHEMOTHERAPY OF TUMOURS OR OSTEOPOROSIS. NOVARTIS AG (CH) 2004-07-27 US disclosed
EP-1153024-B1 2-AMINO-6-ANILINO-PURINES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2004-04-28 EP disclosed
CN-1423651-A Novel use and novel N-azabicyclo-amide derivatives ASTRAZENECA AB (SE) 2003-06-11 CN disclosed
US-6177438-B1 ANALGESICS, DIURETICS, ANTITUSSIVE AGENTS TORAY INDUSTRIES, INC. (JP) 2001-01-23 US disclosed
EP-0663401-B1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES (JP) 2000-06-07 EP disclosed
EP-0657163-B1 ANTITUSSIVE TORAY INDUSTRIES (JP) 1998-10-14 EP disclosed
US-5739145-A MORPHINAN DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1998-04-14 US disclosed
EP-0663401-A1 MORPHINAN DERIVATIVE AND MEDICINAL USE TORAY INDUSTRIES, INC. (JP) 1995-07-19 EP disclosed
EP-0657163-A1 ANTITUSSIVE TORAY INDUSTRIES, INC. (JP) 1995-06-14 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 FFAR1 350/4885FFAR4 1021/4885GRM5 646/4885
US-20020016329-A1 2-Amino-6-anilino-purines and their use as medicaments CDK14, CDK1, CCNB1 FFAR1 4790/4885FFAR4 4499/4885GRM5 4010/4885
US-20070112011-A1 Substituted 1-propiolylpiperazine compounds, their preparation and use GRM5, GRIK5, GRM1 FFAR1 305/4885FFAR4 728/4885GRM5 1/4885

“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.