SCHEMBL3706203

SCHEMBL3706203

C[C@@H]1[C@H](c2ccccc2)C[C@H](NC(=O)O)C(=O)N1CCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RAMP1 O60894 5/20 0.43
▸ CALCRL Q16602 5/20 0.43
▸ SIGMAR1 Q99720 1/20 0.40
▸ LIPG Q9Y5X9 4/20 0.40
▸ KDM1A O60341 1/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ CCKBR P32239 6/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ DGAT2 Q96PD7 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
SCHEMBL30683670 0.89 CALCRL (0.51) RAMP1CALCRLSIGMAR1KDM1AHDAC4
SCHEMBL16653184 0.89 CALCRL (0.51) RAMP1CALCRLSIGMAR1KDM1AHDAC4
SCHEMBL22774234 0.82 ALDH1A1 (0.40) RAMP1CALCRLSIGMAR1HDAC4SMN1; SMN2
SCHEMBL3698617 0.81 SIGMAR1 (0.43) RAMP1CALCRLSIGMAR1LIPGKDM1A
SCHEMBL22775012 0.81 SIGMAR1 (0.39) RAMP1CALCRLSIGMAR1KDM1AHDAC4
SCHEMBL3707967 0.80 SIGMAR1 (0.41) RAMP1CALCRLSIGMAR1LIPGKDM1A
SCHEMBL22774237 0.80 SIGMAR1 (0.42) RAMP1CALCRLSIGMAR1HDAC4CCKBR
SCHEMBL3694364 0.80 SIGMAR1 (0.44) RAMP1CALCRLSIGMAR1HDAC4CCKBR
SCHEMBL3698148 0.78 RAMP1 (0.45) RAMP1CALCRLCCKBR
SCHEMBL15227809 0.78 RAMP1 (0.45) RAMP1CALCRLCCKBR

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 13 patents. 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
US-9833448-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-05 — — US disclosed
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-02 — — US disclosed
US-9499545-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
EP-2821407-B1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2016-09-21 — — EP 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-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 (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-20210008055-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885
US-20120122911-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885
US-20180092900-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885
US-20170027925-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GPR65 RAMP1 26/4885CALCRL 1/4885SIGMAR1 816/4885
US-20190275024-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885
US-20120122899-A1 PIPERIDINONE CARBOXAMIDE AZAINDANE CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885
US-10272077-B2 Piperidinone carboxamide azaindane CGRP receptor antagonists CALCRL, CALCR, CNR2 RAMP1 37/4885CALCRL 1/4885SIGMAR1 653/4885

“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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