SCHEMBL4936650

SCHEMBL4936650

CC(C)(C)NC(=O)c1nn(-c2ccc(Br)cc2)c2c1[C@@H]1CC[C@H]2C1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.62
CNR1 P21554 7/20 0.62
RIPK1 Q13546 1/20 0.41
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
SMPD1 P17405 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL4933139 1.00 CNR2 (0.62) CNR2CNR1RIPK1POLBKMT2A
SCHEMBL1432656 1.00 CNR2 (0.62) CNR2CNR1RIPK1POLBKMT2A
SCHEMBL4924616 0.93 CNR2 (0.53) CNR2CNR1RIPK1POLBKMT2A
SCHEMBL4933934 0.90 CNR2 (0.63) CNR2CNR1RIPK1
SCHEMBL4932862 0.89 CNR2 (0.53) CNR2CNR1
SCHEMBL4924777 0.89 CNR2 (0.62) CNR2CNR1RIPK1POLB
SCHEMBL4935120 0.89 CNR2 (0.62) CNR2CNR1RIPK1POLB
SCHEMBL1432263 0.89 CNR2 (0.74) CNR2CNR1RIPK1KMT2A
SCHEMBL1432161 0.89 CNR2 (0.62) CNR2CNR1RIPK1POLB
SCHEMBL4934575 0.89 CNR2 (0.62) CNR2CNR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2008-08-21 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-20080200501-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885RIPK1 785/4885

“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.