SCHEMBL379723

SCHEMBL379723

CN1C(=O)NC(=O)C12Cc1ccccc1C2

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 15/20 0.46
QPCT Q16769 1/20 0.43
MAP2K2 P36507 3/20 0.43
ADM2 Q7Z4H4 1/20 0.43
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
CALCA P06881 2/20 0.41

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
SCHEMBL16624586 0.81 CALCRL (0.53) CALCRLMAP2K2
SCHEMBL1700551 0.81 CALCRL (0.53) CALCRLMAP2K2
SCHEMBL1921018 0.81 BRD4 (0.46) CALCRLMAP2K2BRD4
SCHEMBL12921079 0.81 BRD4 (0.46) CALCRLMAP2K2BRD4
SCHEMBL16471752 0.81 CALCRL (0.41) CALCRLQPCTCALCA
SCHEMBL4662273 0.80 CALCRL (0.43) CALCRLMAP2K2ADM2
SCHEMBL13192493 0.80 CALCRL (0.43) CALCRLMAP2K2ADM2
SCHEMBL1274913 0.80 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL378986 0.80 CALCRL (0.46) CALCRLMAP2K2
SCHEMBL1394328 0.80 CALCRL (0.46) CALCRLMAP2K2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
EP-2134342-B1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-01-30 EP disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1951228-B1 BICYCLIC SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
EP-1951051-B1 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-03 EP disclosed
EP-1951051-B1 SPIROHYDANTOIN TRICYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-10-03 EP disclosed
EP-1606264-B1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-05-02 EP disclosed
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-09-21 US disclosed
US-20060189593-A1 Aryl spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-08-24 US disclosed
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-07-06 US disclosed
WO-2006031676-A2 TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 WO disclosed
EP-1608627-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-28 EP disclosed
EP-1606264-A1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-21 EP disclosed
EP-1605936-A1 ARYL SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-21 EP disclosed
WO-2004082605-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO disclosed
WO-2004082678-A1 ARYL SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 2004-09-30 WO 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 (5 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-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885QPCT 987/4885MAP2K2 4628/4885
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists CALCRL, CALCR, CCKAR CALCRL 1/4885QPCT 1022/4885MAP2K2 4220/4885
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR CALCRL 2/4885QPCT 774/4885MAP2K2 4241/4885
US-20150099771-A1 PYRIDINE CGRP RECEPTOR ANTAGONISTS CALCRL, P2RX3, P2RY1 CALCRL 1/4885QPCT 525/4885MAP2K2 3196/4885
US-20060189593-A1 Aryl spirohydantoin cgrp receptor antagonists CALCRL, BDKRB2, MRGPRX1 CALCRL 1/4885QPCT 1047/4885MAP2K2 4712/4885

“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.