SCHEMBL191836

SCHEMBL191836

CO[C@H]1Cc2ccccc2[C@H]1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.43
HTR2A P28223 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
IDO1 P14902 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
ANPEP P15144 1/20 0.36

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
SCHEMBL18761525 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL30327609 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL192387 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL2805938 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL4199129 1.00 KDM1A (0.43) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL25254960 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2807464 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
Hydrochloric Acid SCHEMBL2809120 0.98 KDM1A (0.46) KDM1AHTR2ASIGMAR1OPRM1OPRD1
SCHEMBL22457171 0.84 KDM1A (0.46) KDM1AHTR2ASIGMAR1IDO1GRIN2D
SCHEMBL783972 0.81 IDO1 (0.49) SIGMAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3985007-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-04-20 EP disclosed
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 US disclosed
WO-2020249109-A1 TRIAZOLOPYRIMIDINE COMPOUND AND SALT, COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2020-12-17 WO disclosed
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2020-08-18 US disclosed
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 US disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-22 US disclosed
US-9802938-B2 Sulfamoylating reagents MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-9802938-B2 Sulfamoylating reagents MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-10-31 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS INCYTE CORPORATION (US) 2010-09-23 US disclosed
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-02-05 US disclosed
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-28 US disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation NIPPON SHINYAKU CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452525-A1 AMIDE DERIVATIVES AND DRUGS Nippon Shinyaku Co., Ltd. (JP) 2004-09-01 EP 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 (11 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 KDM1A 413/4885HTR2A 4424/4885SIGMAR1 4692/4885
US-20100240671-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS HRH4, HRH2, HRH1 KDM1A 1501/4885HTR2A 506/4885SIGMAR1 85/4885
US-20080051404-A1 Heteroaryl compounds useful as inhibitors of E1 activating enzymes RCE1, ECE1, UBE2E1 KDM1A 961/4885HTR2A 4536/4885SIGMAR1 4493/4885
US-10745404-B2 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, STS KDM1A 505/4885HTR2A 4160/4885SIGMAR1 4487/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 KDM1A 513/4885HTR2A 4708/4885SIGMAR1 4592/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 KDM1A 513/4885HTR2A 4708/4885SIGMAR1 4592/4885
US-20050014942-A1 Transforming growth factor inhibitor; controllign cell differentiation, cell proliferation TGFBR1, TGFBR2, TGFB1 KDM1A 1196/4885HTR2A 4183/4885SIGMAR1 1938/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 KDM1A 513/4885HTR2A 4708/4885SIGMAR1 4592/4885
US-20090036678-A1 Process for the synthesis of E1 activating enzyme inhibitors SULT1E1, SULT1A1, ALDH18A1 KDM1A 640/4885HTR2A 4181/4885SIGMAR1 4543/4885
US-20180079755-A1 PROCESS FOR THE SYNTHESIS OF E1 ACTIVATING ENZYME INHIBITORS SULT1E1, SULT1A1, ALDH18A1 KDM1A 711/4885HTR2A 4150/4885SIGMAR1 4584/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 KDM1A 513/4885HTR2A 4708/4885SIGMAR1 4592/4885

“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.