SCHEMBL8217709

SCHEMBL8217709

CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(c1ccc(F)cc1)C2c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 8/20 0.45
HSD11B1 P28845 4/20 0.44
TRPV1 Q8NER1 4/20 0.43
TSHR P16473 1/20 0.43
RORC P51449 2/20 0.42

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
SCHEMBL8205482 0.90 CACNA1H (0.55) CACNA1HHSD11B1TRPV1
SCHEMBL8226841 0.90 TRPV1 (0.54) CACNA1HTRPV1RORC
SCHEMBL8217952 0.83 HDAC1 (0.52) CACNA1HTRPV1
SCHEMBL8212694 0.82 TRPV1 (0.61) CACNA1HTRPV1TSHRRORC
SCHEMBL8227841 0.81 TRPV1 (0.55) CACNA1HTRPV1TSHR
SCHEMBL8217835 0.81 TRPV1 (0.55) TRPV1TSHR
SCHEMBL8209853 0.80 TRPV1 (0.55) CACNA1HTRPV1
SCHEMBL8217950 0.80 CACNA1H (0.54) CACNA1HHSD11B1TRPV1
SCHEMBL14263432 0.80 CACNA1H (0.54) CACNA1HTRPV1
SCHEMBL8217839 0.78 CACNA1H (0.49) CACNA1HTRPV1

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 5 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-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
WO-2008033468-A2 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
US-20080070889-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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 1386/4885HSD11B1 244/4885TRPV1 928/4885

“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.