SCHEMBL828303

SCHEMBL828303

C[Si](C)(C)CCOCn1c(=O)n(C2CCNCC2)c2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
NPC1 O15118 1/20 0.38
PRKDC P78527 2/20 0.35
OPRD1 P41143 4/20 0.35
KCNH2 Q12809 4/20 0.35
FAAH O00519 3/20 0.33
PIK3CA P42336 2/20 0.33
MTOR P42345 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
SRC P12931 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
EPHB4 P54760 1/20 0.32
TEK Q02763 1/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 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
SCHEMBL828956 0.84 CYP3A4 (0.41) NPC1OPRD1KCNH2CYP3A4
SCHEMBL828901 0.79 GRIN2B (0.44) NPC1OPRD1KCNH2FAAHCYP3A4
SCHEMBL13431102 0.77 TP53 (0.43) TP53PRKDCOPRD1KCNH2FAAH
SCHEMBL12067317 0.77 NPC1 (0.35) TP53NPC1PRKDCPIK3CAMTOR
SCHEMBL2251115 0.76 TP53 (0.42) TP53PRKDCOPRD1KCNH2CYP3A4
SCHEMBL2524376 0.75 PRKDC (0.48) TP53PRKDCOPRD1KCNH2PIK3CA
SCHEMBL13672544 0.74 CALCRL (0.38) KCNH2CYP3A4
SCHEMBL2254703 0.70 OPRD1 (0.46) TP53PRKDCOPRD1KCNH2FAAH
SCHEMBL24478387 0.69 TP53 (0.46) TP53PRKDCOPRD1KCNH2FAAH
SCHEMBL29712741 0.69 TP53 (0.46) TP53PRKDCOPRD1KCNH2FAAH

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697228-B1 CGRP RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-07-27 EP disclosed
US-8748429-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 US disclosed
EP-2697228-A1 CGRP RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-02-19 EP disclosed
EP-2488512-B1 CGRP receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2013-11-27 EP disclosed
US-20130096130-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2013-04-18 US disclosed
US-20130053570-A1 CGRP Receptor Antagonists BRISTOL MYERS SQUIBB CO (US) 2013-02-28 US disclosed
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 US disclosed
WO-2012154354-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-15 WO disclosed
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-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-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 US disclosed
WO-2011046997-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-21 WO 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 (4 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-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TP53 3572/4885NPC1 1465/4885PRKDC 4434/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TP53 3626/4885NPC1 1588/4885PRKDC 4508/4885
US-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TP53 3572/4885NPC1 1465/4885PRKDC 4434/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR TP53 3572/4885NPC1 1465/4885PRKDC 4434/4885

“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.