SCHEMBL828831

SCHEMBL828831

OC1CCC(c2cccc(F)c2F)CCC1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CALCRL Q16602 1/20 0.38
HCRTR2 O43614 5/20 0.38
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
NOTUM Q6P988 1/20 0.38
SLC6A3 Q01959 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
GCK P35557 1/20 0.36
CES2 O00748 2/20 0.35
CES1 P23141 2/20 0.35
BCHE P06276 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
TP53 P04637 1/20 0.35
OPRL1 P41146 1/20 0.35

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
SCHEMBL12477783 0.90 HTR2C (0.47) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL28674645 0.89 CALCRL (0.43) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL8724509 0.89 CALCRL (0.43) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL8728194 0.89 CALCRL (0.43) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL8728213 0.84 CALCRL (0.41) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL28247605 0.82 HTR2C (0.44) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL23047597 0.81 HTR2C (0.41) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL9419316 0.81 HTR2C (0.41) HTR2CHTR2BHCRTR2HTR1ASLC6A2
SCHEMBL20629488 0.81 HTR2C (0.41) HTR2CHTR2BCALCRLHCRTR2HTR1A
SCHEMBL28713023 0.81 HTR2C (0.41) HTR2CHTR2BCALCRLHCRTR2HTR1A

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 17 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
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-8143403-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US 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-20120010402-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2012-01-12 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
US-8044043-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-25 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
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
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 US 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 HTR2C 501/4885HTR2B 266/4885CALCRL 1/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR HTR2C 501/4885HTR2B 266/4885CALCRL 1/4885

“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.