SCHEMBL17002001

SCHEMBL17002001

CC(=O)C1CC2(C1)CC(C(C)=O)C2

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.55
APLNR P35414 1/20 0.38

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
SCHEMBL16887558 0.89 CYP2C19 (0.75) CYP2C19APLNR
SCHEMBL31010343 0.88
SCHEMBL25475869 0.87 CYP2C19 (0.44) CYP2C19APLNR
SCHEMBL17307627 0.84 CYP2C19 (0.40) CYP2C19APLNR
SCHEMBL18212355 0.83 CYP2C19 (0.41) CYP2C19
SCHEMBL18212646 0.83 CYP2C19 (0.41) CYP2C19
SCHEMBL17298614 0.82 CYP2C19 (0.39) CYP2C19APLNR
SCHEMBL23845339 0.82 CYP2C19 (0.39) CYP2C19APLNR
SCHEMBL17888211 0.80 CYP2C19 (0.37) CYP2C19APLNR
SCHEMBL15116507 0.80 CYP2C19 (0.37) CYP2C19APLNR

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
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-9783573-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-10 US disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150322111-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-11-12 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 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 (2 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-20150322111-A1 IAP ANTAGONISTS XIAP, BIRC5, API5 CYP2C19 4883/4885APLNR 308/4885
US-20150225452-A1 IAP ANTAGONISTS XIAP, API5, BIRC5 CYP2C19 4883/4885APLNR 463/4885

“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.