SCHEMBL3700262

SCHEMBL3700262

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

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 8/20 0.32
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
SCHEMBL22796833 1.00 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29997101 1.00 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29416305 1.00 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL22796619 1.00 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL29416263 1.00 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL16913009 0.90 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL16912999 0.90 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL836259 0.89 CALCRL (0.32) CALCRLRAMP1RAMP3CALCR
SCHEMBL30973614 0.89 CRHR1 (0.35) CALCRLRAMP1
SCHEMBL978117 0.89 CALCRL (0.36) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2021-01-14 US disclosed
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2019-09-12 US disclosed
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2019-04-30 US disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
EP-2846798-B1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2018-04-04 EP disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 US disclosed
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 WO disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 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 (8 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-20120122900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 CALCRL 2/4885RAMP1 11/4885RAMP3 18/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885RAMP3 30/4885

“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.