SCHEMBL4760413

SCHEMBL4760413

Cn1c(C(F)(F)F)nc2cnccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
CASP1 P29466 1/20 0.49
RPS6KA5 O75582 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.37
HTT P42858 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL11916064 0.84 ATM (0.53) ATMNPC1TP53MAPTRAB9A
SCHEMBL21040598 0.84 ATM (0.47) ATMNPC1TP53MAPTRAB9A
SCHEMBL5851401 0.77 SMN1; SMN2 (0.55) ATMTP53MAPTRAB9ASMN1; SMN2
SCHEMBL30034162 0.77 SMN1; SMN2 (0.55) ATMTP53MAPTRAB9ASMN1; SMN2
SCHEMBL30181715 0.76 CYP11B2 (0.40) TP53RPS6KA5ALDH1A1LMNAMEN1
SCHEMBL16035164 0.74 RPS6KA5 (0.49) ATMNPC1TP53MAPTRAB9A
SCHEMBL2053477 0.74 ATM (0.62) ATMNPC1TP53MAPTRAB9A
SCHEMBL21040964 0.73 ATM (0.46) ATMNPC1TP53MAPTRAB9A
SCHEMBL16083675 0.73 SMN1; SMN2 (0.60) ATMNPC1TP53MAPTRAB9A
SCHEMBL21189158 0.73 ATM (0.56) ATMNPC1TP53MAPTRAB9A

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 ATM 4721/4885NPC1 1979/4885TP53 3715/4885

“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.