SCHEMBL828702

SCHEMBL828702

OC1CCC(c2cccc(F)c2F)Cc2cccnc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 4/20 0.47
P2RX7 Q99572 13/20 0.44
OPRL1 P41146 1/20 0.40
HTR1A P08908 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39

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
SCHEMBL829433 1.00 CALCRL (0.47) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL31539215 1.00 CALCRL (0.47) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL831006 1.00 CALCRL (0.47) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL828424 1.00 CALCRL (0.47) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL828317 1.00 CALCRL (0.47) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL30721770 0.88 P2RX7 (0.43) CALCRLP2RX7HTR1ASLC6A2SLC6A4
SCHEMBL829944 0.85 CALCRL (0.45) CALCRLP2RX7HTR1ASLC6A2SLC6A4
SCHEMBL828488 0.85 CALCRL (0.45) CALCRLP2RX7HTR1ASLC6A2SLC6A4
SCHEMBL828501 0.85 CALCRL (0.45) CALCRLP2RX7OPRL1HTR1ASLC6A2
SCHEMBL16616045 0.85 CALCRL (0.45) CALCRLP2RX7HTR1ASLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
EP-2846801-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2015-03-18 EP disclosed
WO-2013169563-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-11-14 WO disclosed
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 (3 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 CALCRL 1/4885P2RX7 182/4885OPRL1 14/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885P2RX7 9/4885OPRL1 31/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR CALCRL 1/4885P2RX7 182/4885OPRL1 14/4885

“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.