SCHEMBL4761735

SCHEMBL4761735

CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)C(F)(F)C(F)(F)F)c2C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 10/20 0.42
EP300 Q09472 3/20 0.38
CREBBP Q92793 3/20 0.38
ESR2 Q92731 1/20 0.38
MAPK1 P28482 2/20 0.38
ADORA1 P30542 1/20 0.38
NR1H2 P55055 1/20 0.37
BRD4 O60885 1/20 0.36
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL14520683 0.84 ESR2 (0.41) RBP4EP300CREBBPESR2MAPK1
SCHEMBL4792110 0.84 ADORA1 (0.46) RBP4EP300CREBBPESR2MAPK1
SCHEMBL25430237 0.83 ADORA1 (0.43) RBP4EP300CREBBPESR2MAPK1
SCHEMBL17878107 0.82 MAPK1 (0.42) RBP4EP300CREBBPESR2MAPK1
SCHEMBL29386147 0.81 RBP4 (0.42) RBP4EP300CREBBPESR2MAPK1
SCHEMBL1009435 0.81 DPP4 (0.46) RBP4EP300CREBBPESR2MAPK1
SCHEMBL17870541 0.81 RBP4 (0.39) RBP4EP300CREBBPESR2MAPK1
SCHEMBL4761427 0.80 ADORA1 (0.51) RBP4EP300CREBBPESR2ADORA1
SCHEMBL17870535 0.80 RBP4 (0.39) RBP4EP300CREBBPESR2MAPK1
SCHEMBL14971269 0.79 ESR2 (0.43) EP300CREBBPESR2MAPK1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1589969-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7265128-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-09-04 US disclosed
US-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-03-30 US disclosed
EP-1589969-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co. Inc. (US) 2005-11-02 EP disclosed
WO-2004064778-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO. INC. (US) 2004-08-05 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-20060069116-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 RBP4 131/4885EP300 2326/4885CREBBP 3217/4885

“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.