SCHEMBL4468677

SCHEMBL4468677

CN(C)/C=C(\C#N)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
GLA P06280 1/20 0.53
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GABRA1 P14867 6/20 0.48
GABRG2 P18507 6/20 0.48
GABRB3 P28472 6/20 0.48
GABRB2 P47870 4/20 0.48
GABRB1 P18505 2/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9190963 1.00 POLB (0.55) POLBGLARAB9ANPC1CYP11B1
SCHEMBL4468681 1.00 POLB (0.55) POLBGLARAB9ANPC1CYP11B1
SCHEMBL2252180 0.82 ALDH1A1 (0.56) POLBRAB9ANPC1CYP11B1CYP11B2
SCHEMBL2252176 0.82 ALDH1A1 (0.56) POLBRAB9ANPC1CYP11B1CYP11B2
SCHEMBL2252182 0.82 ALDH1A1 (0.56) POLBRAB9ANPC1CYP11B1CYP11B2
SCHEMBL9860368 0.80 GABRA1 (0.48) POLBRAB9ANPC1ALDH1A1GABRA1
SCHEMBL9860364 0.80 GABRA1 (0.48) POLBRAB9ANPC1ALDH1A1GABRA1
SCHEMBL2251853 0.79 RAB9A (0.56) RAB9ANPC1CYP11B1CYP11B2ALDH1A1
SCHEMBL6505265 0.79 POLB (0.60) POLBGLACYP11B1CYP11B2ALDH1A1
SCHEMBL5633899 0.79 POLB (0.60) POLBGLACYP11B1CYP11B2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831180-B1 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
EP-1831180-B1 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL MYERS SQUIBB CO (US) 2015-07-29 EP disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
US-7589088-B2 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-15 US disclosed
EP-1831180-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS Bristol-Myers Squibb Company (US) 2007-09-12 EP disclosed
WO-2006071762-A2 PYRIMIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-06 WO disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 US disclosed
US-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods BRISTOL-MYERS SQUIBB COMPANY 2006-06-29 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 (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-20060142576-A1 Pyrimidine-based inhibitors of dipeptidyl peptidase IV and methods DPP4, DPP9, DPP3 POLB 55/4885GLA 1305/4885RAB9A 2705/4885

“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.