SCHEMBL5249745

SCHEMBL5249745

Fn1nnc(-c2c[c]ccc2)n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.35
RAB9A P51151 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CHRNB2 P17787 1/20 0.31
CHRNA5 P30532 1/20 0.31
CHRNA4 P43681 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8317326 0.79 RAB9A (0.34) NPC1RAB9AL3MBTL1CHRNB2CHRNA5
SCHEMBL1823663 0.79 PPARA (0.40) NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5507759 0.77 LMNA (0.53) RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5251210 0.69 ALDH1A1 (0.35) L3MBTL1
SCHEMBL160790 0.67 CYP2A6 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL610112 0.67 ALDH1A1 (0.33)
SCHEMBL29190516 0.67 NPC1 (0.39) NPC1RAB9AL3MBTL1HPGDSMN1; SMN2
SCHEMBL28663752 0.66 L3MBTL1 (0.50) NPC1RAB9AL3MBTL1HPGDATM
SCHEMBL4555084 0.66 NPC1 (0.38) NPC1RAB9ASMN1; SMN2
SCHEMBL9454465 0.64 CYP2A6 (0.33) NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 EP claimed
US-7157490-B2 Phenylalanine derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2007-01-02 US claimed
US-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2005-10-06 US claimed
EP-1562925-B1 PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-01-03 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 (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-20050222140-A1 Phenylalanine derivatives as depeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 NPC1 1410/4885RAB9A 4416/4885L3MBTL1 1638/4885

“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.