SCHEMBL17351306

SCHEMBL17351306

COCC1(C(=O)CC#N)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.40
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
MCL1 Q07820 2/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL17351568 0.98 DPP4 (0.39) DPP4CYP4F2CYP4A11MEN1ALDH1A1
SCHEMBL17351421 0.96 DPP4 (0.37) DPP4CYP4F2CYP4A11MEN1ALDH1A1
SCHEMBL17351566 0.83 DPP4 (0.43) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL9713149 0.78 CETP (0.36) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL1143121 0.77 CYP4F2 (0.37) DPP4CYP4F2CYP4A11
SCHEMBL1143119 0.76 CYP2C19 (0.36) DPP4CYP4F2CYP4A11ALDH1A1
SCHEMBL15571853 0.75 CYP2C19 (0.33) MCL1HSD17B10
SCHEMBL17351452 0.75 NLRP3 (0.32) MCL1HSD17B10
SCHEMBL17351358 0.74 HSD17B10 (0.36) DPP4MEN1ALDH1A1MAPTKMT2A
SCHEMBL1142644 0.74 CYP4F2 (0.35) DPP4CYP4F2CYP4A11ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
US-9562052-B2 Bicyclicpyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-02-07 US disclosed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP disclosed
EP-2888245-B1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-09-21 EP disclosed
US-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2015-12-24 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-20150368256-A1 NEW BICYCLICPYRIDINE DERIVATIVES CACNA1E, CHRM1, CHRM2 DPP4 2966/4885CYP4F2 2310/4885CYP4A11 2198/4885

“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.