SCHEMBL734126

SCHEMBL734126

CNC1(c2nc(C)cs2)CCC2(CC1)OCCO2.[Li]CCCC

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL734040 0.89 CNR2 (0.39) CNR2CNR1
SCHEMBL19225658 0.74 CNR2 (0.53) CNR2CNR1
SCHEMBL734691 0.71 CNR2 (0.40) CNR2
SCHEMBL2507068 0.70 HPGD (0.36)
SCHEMBL734065 0.67 CNR2 (0.38) CNR2CNR1
SCHEMBL735313 0.67 ALDH1A1 (0.33)
SCHEMBL733529 0.65 HPGD (0.38) CNR2
SCHEMBL9050766 0.63 ADORA2A (0.36)
SCHEMBL23320022 0.63 SMN1; SMN2 (0.38)
SCHEMBL736352 0.61 L3MBTL1 (0.31)

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 CNR2 199/4885CNR1 536/4885

“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.