SCHEMBL380001

SCHEMBL380001

Nc1ccc2c(c1)CC1(C2)NC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 6/20 0.41
CA9 Q16790 1/20 0.40
GAA P10253 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
APEX1 P27695 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
PARP1 P09874 1/20 0.33
TDP2 O95551 1/20 0.33
CRBN Q96SW2 1/20 0.33
MEN1 O00255 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
SCHEMBL14530505 0.89 TDP1 (0.41) CALCRLCA9GAATDP1KDM4E
SCHEMBL1715181 0.89 CALCRL (0.43) CALCRLCA9GAATDP1KDM4E
SCHEMBL1714787 0.89 TDP1 (0.41) CALCRLCA9GAATDP1KDM4E
SCHEMBL14536414 0.89 CALCRL (0.43) CALCRLCA9GAATDP1KDM4E
Hydrochloric Acid SCHEMBL1714778 0.88 CALCRL (0.42) CALCRLCA9GAATDP1KDM4E
SCHEMBL13055192 0.81 CALCRL (0.44) CALCRLMAPTPARP1
SCHEMBL12199728 0.81 TSHR (0.42) CALCRLCA9GAATDP1KDM4E
SCHEMBL1727271 0.80 TDP2 (0.42) CALCRLPARP1TDP2
SCHEMBL13192017 0.80 TDP2 (0.42) CALCRLTDP1TSHRTDP2CRBN
SCHEMBL12660698 0.78 CALCRL (0.45) CALCRLTDP2CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 US disclosed
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-09-18 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
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
US-8778957-B2 CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2014-07-15 US disclosed
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP 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
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-20060189600-A1 Benodiazepine 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
EP-1608627-A2 BICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS Merck & Co. Inc. (US) 2005-12-28 EP disclosed
EP-1606286-A2 BENODIAZEPINE 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-2004087649-A2 BENODIAZEPINE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2004-10-14 WO 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

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-20060189600-A1 Benodiazepine spirohydantoin cgrp receptor antagonists BDKRB2, BDKRB1, CNR2 CALCRL 7/4885CA9 2035/4885GAA 2354/4885
US-20140275017-A1 CGRP RECEPTOR ANTAGONISTS BDKRB1, CALCRL, BDKRB2 CALCRL 2/4885CA9 3736/4885GAA 2847/4885
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists CALCRL, CALCR, CCKAR CALCRL 1/4885CA9 1708/4885GAA 3008/4885
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR CALCRL 2/4885CA9 1724/4885GAA 2838/4885
US-20060189593-A1 Aryl spirohydantoin cgrp receptor antagonists CALCRL, BDKRB2, MRGPRX1 CALCRL 1/4885CA9 2445/4885GAA 2393/4885

“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.