SCHEMBL3704725

SCHEMBL3704725

C[Si](C)(C)CCOCN1C(=O)[C@]2(Cc3cc(C(=O)O)cnc3C2)c2cccnc21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 17/20 0.37
RAMP1 O60894 10/20 0.37
NPC1 O15118 1/20 0.33

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
SCHEMBL30973617 1.00 CALCRL (0.37) CALCRLRAMP1NPC1
SCHEMBL3784670 1.00 CALCRL (0.37) CALCRLRAMP1NPC1
SCHEMBL30973616 1.00 CALCRL (0.37) CALCRLRAMP1NPC1
SCHEMBL4567289 0.93 NPC1 (0.35) CALCRLRAMP1NPC1
SCHEMBL30973603 0.92 CALCRL (0.37) CALCRLRAMP1NPC1
SCHEMBL16912987 0.92 CALCRL (0.35) CALCRLRAMP1NPC1
SCHEMBL15095510 0.92 CALCRL (0.35) CALCRLRAMP1NPC1
SCHEMBL1812252 0.89 CALCRL (0.38) CALCRLRAMP1NPC1
SCHEMBL28717222 0.89 CALCRL (0.38) CALCRLRAMP1NPC1
SCHEMBL16913009 0.88 CALCRL (0.32) CALCRLRAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024134683-A1 Novel process for the preparation of intermediate compounds used in the treatment of migraine MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-06-27 WO claimed
WO-2024134683-A1 Novel process for the preparation of intermediate compounds used in the treatment of migraine MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-06-27 WO disclosed
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-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-04-05 US disclosed
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
EP-2846801-B1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 US disclosed
EP-2821407-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-09-21 EP disclosed
US-9227973-B2 Pyridine CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 US disclosed
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-04-09 US disclosed
EP-2821407-A1 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck Sharp & Dohme Corp. (US) 2015-01-07 EP disclosed
US-8912210-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-12-16 US disclosed
EP-2638042-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-8754096-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-06-17 US disclosed
US-8481556-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck, Sharp & Dohms, Corp. (US) 2013-07-09 US disclosed
US-20120122899-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-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 (9 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 37/4885NPC1 908/4885
US-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 CALCRL 1/4885RAMP1 26/4885NPC1 1267/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885RAMP1 125/4885NPC1 918/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists CALCRL, CALCR, CNR2 CALCRL 1/4885RAMP1 37/4885NPC1 908/4885

“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.