SCHEMBL2980930

SCHEMBL2980930

COC(=O)CC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.67
CXCR4 P61073 1/20 0.61
LTA4H P09960 1/20 0.58
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
MAOB P27338 1/20 0.57
CCR3 P51677 1/20 0.56

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
SCHEMBL6705674 0.92 DRD2 (0.59) DRD2DRD4CXCR4ACHE
SCHEMBL8446486 0.92 LTA4H (0.65) DRD2DRD4CXCR4LTA4HBCHE
SCHEMBL14127744 0.90 DRD2 (0.56) DRD2DRD4CXCR4LTA4HBCHE
SCHEMBL15054621 0.90 DRD2 (0.56) DRD2DRD4CXCR4LTA4HBCHE
SCHEMBL28534937 0.88 DRD2 (0.62) DRD2DRD4CXCR4BCHEACHE
SCHEMBL28534938 0.86 DRD2 (0.61) DRD2DRD4CXCR4ACHECCR3
SCHEMBL8809184 0.86 DRD2 (0.61) DRD2DRD4CXCR4BCHEACHE
Hydrochloric Acid SCHEMBL9536536 0.85 DRD2 (0.60) DRD2DRD4CXCR4BCHEACHE
SCHEMBL31050638 0.85 DRD2 (0.51) DRD2DRD4LTA4HBCHEACHE
SCHEMBL4505679 0.84 ACHE (0.63) CXCR4BCHEACHECCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 US disclosed
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 US disclosed
US-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-01 US disclosed
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 US disclosed
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 US disclosed
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 US disclosed
EP-2920173-B1 TETRAHYDROIMDIDAZOPYRAZINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
EP-2920173-B1 TETRAHYDROIMDIDAZOPYRAZINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-11-23 EP disclosed
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
WO-2014062548-A1 TETRAHYDROIMDIDAZOPYRAZINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
WO-2014062548-A1 TETRAHYDROIMDIDAZOPYRAZINE DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-24 WO disclosed
US-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-7772244-B2 Therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 US disclosed
EP-1730137-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
WO-2005095383-A1 HETEROCYCLIC CGRP ANTAGONISTS FOR THE TREATMENT OF MIGRAINE BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine BRISTOL-MYERS SQUIBB COMPANY 2005-09-29 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-20180030057-A1 SUBSTITUTED IMIDAZO[1,5-a]PYRAZINES AS CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, BDKRB2 DRD2 3079/4885DRD4 4521/4885CXCR4 471/4885
US-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA DRD2 1526/4885DRD4 3689/4885CXCR4 241/4885
US-20050215576-A1 Novel therapeutic agents for the treatment of migraine CALCRL, CALCR, CALCA DRD2 2821/4885DRD4 4305/4885CXCR4 253/4885
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR DRD2 1801/4885DRD4 4106/4885CXCR4 413/4885

“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.