SCHEMBL12844640

SCHEMBL12844640

BN1CCC2(CC1)C(=O)N(c1ccc(F)c(Cl)c1)C2c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 16/20 0.49
MDM2 Q00987 3/20 0.38
METAP2 P50579 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL8220977 0.88 CACNA1H (0.47) CACNA1HMDM2TP53
SCHEMBL8229542 0.77 CACNA1H (0.71) CACNA1HMDM2
SCHEMBL12844637 0.76 CACNA1H (0.43) CACNA1H
SCHEMBL8210807 0.74 CACNA1H (0.47) CACNA1HMDM2TP53
SCHEMBL8202485 0.71 CACNA1H (0.51) CACNA1H
SCHEMBL8228606 0.71 CACNA1H (0.48) CACNA1H
SCHEMBL14267020 0.68 CACNA1H (0.80) CACNA1H
SCHEMBL12876090 0.67 CACNA1H (0.48) CACNA1H
SCHEMBL12876244 0.67 CACNA1H (1.00) CACNA1H
SCHEMBL8209942 0.65 HSD11B1 (0.50) CACNA1H

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-7902157-B2 Spirocyclic azetidin(one); e.g. 2,7-diazaspiro[3.5]nonan-1-one; T-type calcium channel blockers; Niemann-Pick C1-like (NPC1L1) antagonists SCHERING CORPORATION (US) 2011-03-08 US disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM CYP46A1, OPRD1, OPRK1 CACNA1H 1386/4885MDM2 2670/4885METAP2 1918/4885

“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.