SCHEMBL5318252

SCHEMBL5318252

COc1nc(C2CC2)nc(OCC(F)(F)F)c1C=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.34
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL6333420 0.84 PDE10A (0.35)
SCHEMBL6335653 0.83 CCNA2 (0.39)
SCHEMBL6345237 0.82 LRRK2 (0.30)
SCHEMBL6335754 0.81 CNR2 (0.32) CNR2
SCHEMBL6344435 0.81 EDNRA (0.31)
SCHEMBL6335620 0.79 ADORA2A (0.38) CNR2HCRTR1HCRTR2
SCHEMBL6333897 0.78 MEN1 (0.40) CNR2
SCHEMBL6335241 0.78 MEN1 (0.35) CNR2
SCHEMBL6339947 0.76 CCNA2 (0.36)
SCHEMBL6335530 0.76 MEN1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007089031-A1 PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-09 WO disclosed
US-20050171350-A1 Benzhydryl derivatives FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2005-08-04 US disclosed
EP-1456201-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-09-15 EP disclosed
WO-2003053957-A1 BENZHYDRYL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (US) 2003-07-03 WO 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-20050171350-A1 Benzhydryl derivatives BDKRB1, BDKRB2, TACR1 CNR2 441/4885HCRTR1 88/4885HCRTR2 226/4885

“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.