SCHEMBL3698148

SCHEMBL3698148

C[C@@H]1[C@H](c2cccc(Cl)c2)C[C@H](NC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP1 O60894 4/20 0.45
▸ CALCRL Q16602 4/20 0.45
▸ MDM2 Q00987 14/20 0.42
▸ TP53 P04637 13/20 0.42
▸ CCKBR P32239 1/20 0.40

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
SCHEMBL26619367 1.00 RAMP1 (0.45) RAMP1CALCRLMDM2TP53CCKBR
SCHEMBL15227809 1.00 RAMP1 (0.45) RAMP1CALCRLMDM2TP53CCKBR
SCHEMBL16653184 0.88 CALCRL (0.51) RAMP1CALCRLCCKBR
SCHEMBL30683670 0.88 CALCRL (0.51) RAMP1CALCRLCCKBR
SCHEMBL31511788 0.88 MDM2 (0.42) RAMP1CALCRLMDM2TP53CCKBR
SCHEMBL26619202 0.88 MDM2 (0.42) RAMP1CALCRLMDM2TP53CCKBR
SCHEMBL3703415 0.80 MDM2 (0.39) MDM2TP53
SCHEMBL3699627 0.79 CALCRL (0.53) RAMP1CALCRLCCKBR
SCHEMBL16653123 0.79 CALCRL (0.53) RAMP1CALCRLCCKBR
SCHEMBL16341794 0.79 SLC9A1 (0.41) MDM2TP53

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 26 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-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-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 — — US disclosed
EP-2846799-B1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2017-11-15 — — EP disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 — — US disclosed
EP-2637656-B1 N-Piperidinone-indane carboxamides as CGRP receptor antagonists MERCK SHARP & DOHME (US) 2016-12-14 — — EP disclosed
US-9499541-B2 Piperidinone carboxamide indane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9227972-B2 Aliphatic spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-07-23 — — US disclosed
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 — — US disclosed
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-01-29 — — US disclosed
EP-2821407-A1 Piperidinone carboxamide azaindane CGRP receptor antagonists Merck Sharp & Dohme Corp. (US) 2015-01-07 — — EP 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-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. 2014-01-02 — — 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 (11 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-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 RAMP1 26/4885CALCRL 1/4885MDM2 4862/4885
US-20140005214-A1 PIPERIDINONE CARBOXAMIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 27/4885CALCRL 1/4885MDM2 4821/4885
US-20150203496-A1 ALIPHATIC SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, OPRL1 RAMP1 25/4885CALCRL 1/4885MDM2 4447/4885
US-20150031716-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 24/4885CALCRL 1/4885MDM2 4829/4885
US-20150111914-A1 SPIROLACTAM CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, TACR1 RAMP1 72/4885CALCRL 1/4885MDM2 4727/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885MDM2 4841/4885

“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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