SCHEMBL4807623

SCHEMBL4807623

Cc1cccc(C(Cc2cc(-c3ccc(Oc4ccccc4)cc3)n(-c3ccc(C(C)(C)C)cc3)n2)C(=O)O)c1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKAR P32238 16/20 0.72
ALOX5 P09917 2/20 0.47
PTGS1 P23219 2/20 0.47
BCL2 P10415 2/20 0.45
MDM2 Q00987 2/20 0.45
MCL1 Q07820 2/20 0.45

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
SCHEMBL4805941 0.86 CCKAR (0.69) CCKARALOX5PTGS1BCL2MDM2
SCHEMBL4164999 0.84 CCKAR (0.87) CCKARALOX5PTGS1
SCHEMBL4141151 0.84 CCKAR (1.00) CCKARALOX5PTGS1
SCHEMBL4158552 0.82 CCKAR (1.00) CCKARALOX5
SCHEMBL4168634 0.81 CCKAR (1.00) CCKARALOX5PTGS1
SCHEMBL4806432 0.80 CCKAR (0.79) CCKARALOX5PTGS1
SCHEMBL4806401 0.80 CCKAR (0.79) CCKARALOX5PTGS1
SCHEMBL4007728 0.80 CCKAR (0.93) CCKARALOX5
SCHEMBL4012724 0.80 CCKAR (0.93) CCKARALOX5
SCHEMBL4006489 0.80 CCKAR (0.93) CCKARALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 US disclosed
US-20050026903-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-03 US disclosed
US-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders JONES TODD K (US) 2005-01-27 US disclosed
US-20040067983-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-08 US 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 (5 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-20050020565-A1 Pyrazole compound; gastrointestinal disorders; central nervous system disorders CCKAR, CCKBR, NPY1R CCKAR 1/4885ALOX5 2648/4885PTGS1 1104/4885
US-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885ALOX5 4355/4885PTGS1 584/4885
US-20040067983-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR CCKAR 1/4885ALOX5 4355/4885PTGS1 584/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 CCKAR 1/4885ALOX5 480/4885PTGS1 471/4885
US-20050026903-A1 CCK-1 receptor modulators CCKAR, CCKBR, GLP1R CCKAR 1/4885ALOX5 3355/4885PTGS1 710/4885

“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.