SCHEMBL9012644

SCHEMBL9012644

COC(=O)C1CC2CC(N=C=S)C1C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
NAAA Q02083 3/20 0.33
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 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
SCHEMBL17320460 0.77 CHRNB2 (0.41) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL9012393 0.74 APLNR (0.37) APLNRCHRM2CHRM4CHRM3NAAA
SCHEMBL24324078 0.72 APLNR (0.42) APLNRCHRM2CHRM4CHRM3NAAA
SCHEMBL29483876 0.71 CHRNB2 (0.36) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL2125725 0.71 CHRNB2 (0.36) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL15440621 0.71 CYP1A2 (0.37) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL13525515 0.69 APLNR (0.36) APLNR
SCHEMBL9012263 0.69 APLNR (0.35) APLNR
SCHEMBL19755158 0.67 CHRNB2 (0.33) CHRM2CHRM4CHRM3CHRNB2CHRNA4
SCHEMBL21174558 0.67 CHRNB2 (0.33) CHRM2CHRM4CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS TALALAY, PAUL 2016-02-11 US disclosed
US-5589504-A Treatment of newborn jaundice CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-31 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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 APLNR 2470/4885CHRM2 3626/4885CHRM4 4393/4885
US-20160038485-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 APLNR 2470/4885CHRM2 3626/4885CHRM4 4393/4885

“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.