SCHEMBL2710491

SCHEMBL2710491

O=C(O)CN1CCN(c2ccccn2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 2/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
SCN9A Q15858 1/20 0.48
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 2/20 0.46
RECQL P46063 2/20 0.46
HPGD P15428 1/20 0.46
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 8/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A7 Q99884 1/20 0.42

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
SCHEMBL3582057 0.79 KMT2A (0.61) CYP2D6CYP2C19CYP2C9POLBKMT2A
SCHEMBL9678330 0.78 CRBN (0.46) SCN9AKDM4ECRBNALDH1A1GRM5
SCHEMBL9677180 0.77 CRBN (0.42) CYP2D6CYP2C9POLBKMT2ASCN9A
SCHEMBL9677162 0.77 CRBN (0.42) CYP2D6CYP2C9POLBKMT2ASCN9A
SCHEMBL2964066 0.75 DRD2 (0.57) CYP2D6CYP2C19CYP2C9POLBKMT2A
SCHEMBL5054210 0.74 ALDH1A1 (0.47) CYP2C9SCN9ACYP3A4KDM4EHSD17B10
SCHEMBL12427186 0.73 CRBN (0.53) SCN9AKDM4EHSD17B10HPGDCRBN
SCHEMBL4921733 0.73 CRBN (0.41) SCN9AKDM4ECRBNALDH1A1GRM5
SCHEMBL5174282 0.72 NPSR1 (0.71) CYP2C9POLBKMT2ACYP3A4KDM4E
SCHEMBL1568127 0.71 KDM4C (0.53) KDM4ECRBNALDH1A1NPSR1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791843-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-08-29 EP disclosed
EP-1791843-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-08-29 EP disclosed
EP-1606264-B1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-05-02 EP disclosed
EP-1606264-B1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-05-02 EP disclosed
US-7659300-B2 Monocyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 US disclosed
US-7659300-B2 Monocyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 US disclosed
US-7659300-B2 Monocyclic anilide spirolactam CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-02-09 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
EP-1606264-A4 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2009-02-18 EP disclosed
EP-1791843-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-06-06 EP disclosed
US-7192954-B2 Monocyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-7192954-B2 Monocyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-7192954-B2 Monocyclic anilide spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-07-06 US disclosed
WO-2006029153-A2 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-16 WO disclosed
EP-1606264-A1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-21 EP disclosed
WO-2004083187-A1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO 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-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists CALCRL, CALCR, CCKAR CYP2D6 1997/4885CYP2C19 1934/4885CYP2C9 1710/4885
US-20090054408-A1 Monocyclic anilide spirolactam cgrp receptor antagonists BDKRB1, BDKRB2, CALCRL CYP2D6 1253/4885CYP2C19 1442/4885CYP2C9 1052/4885

“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.