SCHEMBL836259

SCHEMBL836259

C[Si](C)(C)CCOCN1C(=O)C2(Cc3cc(N)cnc3C2)c2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.32
NPC1 O15118 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
RAMP1 O60894 3/20 0.30
RAMP3 O60896 1/20 0.30
CALCR P30988 1/20 0.30

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
SCHEMBL16913009 0.90 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL16912999 0.90 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29997101 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL22796833 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL22796619 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL30973614 0.89 CRHR1 (0.35) CALCRLRAMP1
SCHEMBL3700262 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29416305 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29416263 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL260667 0.89 CALCRL (0.36) CALCRLNPC1EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438067-B1 SPIROLACTAMS AS CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
EP-2029575-B1 SUBSTITUTED SPIROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-10-22 EP disclosed
US-8765759-B2 Monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-01 US disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-8765763-B2 Substituted piperazines as CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
EP-2271346-B1 MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-2146572-B1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-11-20 EP disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-2091533-B1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-11-28 EP disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
WO-2008153852-A1 TRICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-18 WO disclosed
WO-2008130512-A1 BICYCLIC ANILIDE HETEROCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-10-30 WO disclosed
WO-2008073251-A1 CONSTRAINED SPIROCYCLIC COMPOUNDS AS CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-06-19 WO disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR CALCRL 2/4885NPC1 615/4885EGLN1 1329/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB CALCRL 2/4885NPC1 596/4885EGLN1 1281/4885

“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.