SCHEMBL828845

SCHEMBL828845

CC(C)(C)N1CCc2ccccc2NC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.49
▸ CREBBP Q92793 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK13 O15264 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ MAPT P10636 2/20 0.46
▸ AHR P35869 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ SIRT2 Q8IXJ6 2/20 0.40
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ ACHE P22303 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ DRD2 P14416 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
SCHEMBL12231865 0.84 BRD4 (0.44) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL13078127 0.83 BRD4 (0.61) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL2606232 0.77 BRD4 (0.68) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL828633 0.75 GSK3B (0.36) BRD4RIPK1
SCHEMBL12230597 0.75 CRBN (0.38) —
SCHEMBL13907678 0.74 NPC1 (0.53) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL12087699 0.73 BRD4 (0.49) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL2603742 0.73 BRD4 (0.49) BRD4CREBBPNPC1MAPK13MAPK12
SCHEMBL123507 0.72 KMT2A (0.44) NPC1KMT2AACHEMAOAMAOB
Hydrochloric Acid SCHEMBL19031500 0.72 NPC1 (0.52) BRD4CREBBPNPC1MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695176-B2 Substituted imidazo[1,5-a]pyrazines as CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-04 — — US disclosed
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 — — US disclosed
US-8748429-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-10 — — US 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
US-8314117-B2 CGRP receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-20 — — 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-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
US-20110251223-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2011-10-13 — — US disclosed
US-20090258866-A1 CGRP Receptor Antagonists BRISTOL-MYERS SQUIBB COMPANY 2009-10-15 — — US disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 — — US disclosed
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 — — US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — 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 (7 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 BRD4 1892/4885CREBBP 1339/4885NPC1 1588/4885
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA BRD4 3351/4885CREBBP 1628/4885NPC1 1104/4885
US-20130053570-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 2493/4885CREBBP 1534/4885NPC1 1465/4885
US-20090258866-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 1892/4885CREBBP 1339/4885NPC1 1588/4885
US-20130096130-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 2493/4885CREBBP 1534/4885NPC1 1465/4885
US-20150274734-A1 CGRP RECEPTOR ANTAGONISTS CALCRL, BDKRB2, CALCR BRD4 2848/4885CREBBP 2056/4885NPC1 1243/4885
US-20110251223-A1 CGRP Receptor Antagonists CALCRL, BDKRB2, CALCR BRD4 2493/4885CREBBP 1534/4885NPC1 1465/4885

“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.

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