SCHEMBL1715310

SCHEMBL1715310

O=C1NC(=O)C2(CCc3cc(Br)ccc3C2)N1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 2/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1B1 P15121 2/20 0.40
AKR1A1 P14550 1/20 0.40
TDP2 O95551 1/20 0.40
ASIC3 Q9UHC3 1/20 0.39
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
RAMP1 O60894 1/20 0.38
BACE1 P56817 1/20 0.37

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
SCHEMBL7924805 0.94 TSHR (0.41) CALCRLTSHRTDP1AKR1B1AKR1A1
SCHEMBL1727271 0.89 TDP2 (0.42) CALCRLAKR1B1AKR1A1TDP2CMA1
SCHEMBL13055196 0.83 CALCRL (0.43) CALCRLTSHRTDP1AKR1B1RAMP1
SCHEMBL1715181 0.82 CALCRL (0.43) CALCRLTSHRTDP1AKR1B1RAMP1
SCHEMBL14536414 0.82 CALCRL (0.43) CALCRLTSHRTDP1AKR1B1RAMP1
SCHEMBL26401054 0.81 METAP1 (0.38) TDP2ASIC3CMA1AHRBACE1
Hydrochloric Acid SCHEMBL1714778 0.81 CALCRL (0.42) CALCRLTSHRTDP1AKR1B1RAMP1
Tetrantoin SCHEMBL29582305 0.79 TSHR (0.54) CALCRLTSHRTDP1AKR1B1
Tetrantoin SCHEMBL79518 0.79 TSHR (0.54) CALCRLTSHRTDP1AKR1B1
SCHEMBL4960953 0.78 CALCRL (0.50) CALCRLTSHRTDP1RAMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC (US) 2018-07-12 US disclosed
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2018-03-15 US disclosed
US-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-08-18 US disclosed
WO-2016044770-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE ABBVIE INC. (US) 2016-03-24 WO disclosed
EP-1912653-B1 HETEROCYCLIC BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-01-01 EP disclosed
WO-2011070283-A8 METHOD AND APPARATUS FOR COOLING AND/OR DEEP-FREEZING MATERIALS IMPLEMENTING THE INJECTION OF TWO CRYOGENIC LIQUIDS L'Air Liquide, Société Anonyme pour l'Etude et l'Exploitation des Procédés Georges Claude (FR) 2012-05-10 WO disclosed
EP-1606264-B1 MONOCYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2012-05-02 EP disclosed
US-8071770-B2 Spirohydantoin aryl CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-8071771-B2 Bicyclic spirohydantoin CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-12-06 US disclosed
US-7189722-B2 Aryl spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-13 US disclosed
US-7189722-B2 Aryl spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-13 US disclosed
US-7189722-B2 Aryl spirohydantoin CGRP receptor antagonists MERCK & CO., INC. (US) 2007-03-13 US 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
WO-2006031676-A2 TRICYCLIC ANILIDE SPIROHYDANTOIN CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-03-23 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 (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-20160235716-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CALCRL 2338/4885TSHR 396/4885TDP1 1693/4885
US-20060189600-A1 Benodiazepine spirohydantoin cgrp receptor antagonists BDKRB2, BDKRB1, CNR2 CALCRL 7/4885TSHR 1061/4885TDP1 3028/4885
US-20060148779-A1 Monocyclic anilide spirohydantoin cgrp receptor antagonists CALCRL, CALCR, CCKAR CALCRL 1/4885TSHR 1059/4885TDP1 3851/4885
US-20060211712-A1 Bicyclic anilide spirohydantoin cgrp receptor antagonists BDKRB2, CALCRL, CCKBR CALCRL 2/4885TSHR 986/4885TDP1 3490/4885
US-20060189593-A1 Aryl spirohydantoin cgrp receptor antagonists CALCRL, BDKRB2, MRGPRX1 CALCRL 1/4885TSHR 732/4885TDP1 2834/4885
US-20180193315-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, KAT2A CALCRL 2683/4885TSHR 504/4885TDP1 1667/4885
US-20180071262-A1 SPIROCYCLIC HAT INHIBITORS AND METHODS FOR THEIR USE KAT2B, HDAC1, HDAC9 CALCRL 2338/4885TSHR 396/4885TDP1 1693/4885

“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.