SCHEMBL4760447

SCHEMBL4760447

O=C(O)C=Cc1cc2c(s1)CCNC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.52
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
PARP1 P09874 3/20 0.39
PARP2 Q9UGN5 3/20 0.39
KCNH2 Q12809 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
RXRA P19793 1/20 0.35
F10 P00742 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 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
SCHEMBL4760446 1.00 PNMT (0.52) PNMTTPSAB1TPSD1TPSG1PARP1
Trifluoroacetic Acid SCHEMBL5648133 0.92 PNMT (0.46) PNMTTPSAB1TPSD1TPSG1PARP1
Trifluoroacetic Acid SCHEMBL5648145 0.92 PNMT (0.46) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL8312456 0.83 PNMT (0.51) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL5648139 0.79 PNMT (0.46) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL2559315 0.78 PNMT (0.56) PNMTTPSAB1TPSD1TPSG1PARP1
Hydrochloric Acid SCHEMBL3543864 0.76 PNMT (0.54) PNMTTPSAB1TPSD1TPSG1PARP1
SCHEMBL977949 0.73 PNMT (0.73) PNMTTPSAB1TPSD1TPSG1ITGB3
SCHEMBL14496878 0.72 PARP1 (0.41) PARP1PARP2HCAR2RXRAF10
Hydrochloric Acid SCHEMBL3441470 0.72 PNMT (0.71) PNMTTPSAB1TPSD1TPSG1ITGB3

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 PNMT 1801/4885TPSAB1 353/4885TPSD1 1219/4885

“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.