SCHEMBL829005

SCHEMBL829005

O[C@H]1CC[C@H](c2cc(F)ccc2F)Cc2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 15/20 0.45
OPRL1 P41146 4/20 0.43
HCAR2 Q8TDS4 1/20 0.38
KCNH2 Q12809 2/20 0.38

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
SCHEMBL829241 1.00 P2RX7 (0.45) P2RX7OPRL1HCAR2KCNH2
SCHEMBL828464 1.00 P2RX7 (0.45) P2RX7OPRL1HCAR2KCNH2
SCHEMBL829240 1.00 P2RX7 (0.45) P2RX7OPRL1HCAR2KCNH2
SCHEMBL829924 0.81 P2RX7 (0.40) P2RX7OPRL1KCNH2
SCHEMBL828725 0.81 P2RX7 (0.40) P2RX7OPRL1KCNH2
SCHEMBL828424 0.81 CALCRL (0.47) P2RX7OPRL1
SCHEMBL828702 0.81 CALCRL (0.47) P2RX7OPRL1
SCHEMBL828317 0.81 CALCRL (0.47) P2RX7OPRL1
SCHEMBL828737 0.81 P2RX7 (0.40) P2RX7OPRL1KCNH2
SCHEMBL831006 0.81 CALCRL (0.47) P2RX7OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2271640-B1 Piperidine derivatives as CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2012-09-05 EP disclosed
US-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
US-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 US disclosed
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 US disclosed
EP-2271640-A2 PIPERIDINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
WO-2009126530-A2 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-15 WO disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 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 (2 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-20120010402-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR P2RX7 182/4885OPRL1 14/4885HCAR2 320/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR P2RX7 182/4885OPRL1 14/4885HCAR2 320/4885

“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.