SCHEMBL736352

SCHEMBL736352

Cc1csc(C2(C#N)CCC(=O)CC2)n1.Cc1csc(C2(C#N)CCC3(CC2)OCCO3)n1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 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
SCHEMBL735313 0.91 ALDH1A1 (0.33) HPGD
SCHEMBL27759583 0.89 L3MBTL1 (0.37) L3MBTL1
SCHEMBL2507068 0.71 HPGD (0.36) HPGD
SCHEMBL734720 0.71 KDM4E (0.32) HPGD
SCHEMBL734040 0.69 CNR2 (0.39) HPGD
SCHEMBL733529 0.69 HPGD (0.38) HPGD
SCHEMBL2037274 0.68 OPRL1 (0.30)
SCHEMBL2481307 0.68 L3MBTL1 (0.36) L3MBTL1
SCHEMBL734065 0.66 CNR2 (0.38) L3MBTL1
SCHEMBL734691 0.65 CNR2 (0.40) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 L3MBTL1 3675/4885HPGD 1007/4885

“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.