SCHEMBL17007372

SCHEMBL17007372

Cc1c[c]c(-n2cccn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 7/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 5/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
G6PD P11413 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPK1 P28482 2/20 0.36
GRM5 P41594 2/20 0.34
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL17007138 0.80 MAPK1 (0.42) NOTUMALDH1A1NPC1KMT2AKDM4E
SCHEMBL1195851 0.80 NOTUM (0.55) NOTUMALDH1A1NPC1KMT2AKDM4E
SCHEMBL1196793 0.76 NOTUM (0.55) NOTUM
SCHEMBL296899 0.73 MAPK1 (0.42) NOTUMALDH1A1NPC1RAB9AKMT2A
SCHEMBL28604730 0.73 NOTUM (0.38) NOTUMALDH1A1NPC1RAB9AKMT2A
SCHEMBL82721 0.72 NOTUM (0.64) NOTUMALDH1A1KMT2AKDM4EMAPT
SCHEMBL15009410 0.72 CA1 (0.31)
SCHEMBL1671339 0.72
SCHEMBL28598348 0.72 ALDH1A1 (0.41) NOTUMALDH1A1NPC1RAB9AKMT2A
SCHEMBL6428534 0.71 NOTUM (0.62) NOTUMALDH1A1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP claimed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US claimed
CN-106164047-B 1,2- substituted cyclopentane as orexin receptor antagonists 武田药品工业株式会社 2019-04-16 CN claimed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US claimed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US claimed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US claimed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP claimed
CN-106164047-A 1,2 substituted cyclopentanes as orexin receptor antagonists 武田药品工业株式会社 2016-11-23 CN claimed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US claimed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO claimed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US claimed
EP-3107898-B1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2021-01-06 EP disclosed
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 US disclosed
CN-106164047-B 1,2- substituted cyclopentane as orexin receptor antagonists 武田药品工业株式会社 2019-04-16 CN disclosed
US-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 US disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
CN-106164047-A 1,2 substituted cyclopentanes as orexin receptor antagonists 武田药品工业株式会社 2016-11-23 CN disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US 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-20180282309-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885ALDH1A1 570/4885NPC1 1273/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4545/4885ALDH1A1 552/4885NPC1 1164/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R NOTUM 4545/4885ALDH1A1 552/4885NPC1 1164/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R NOTUM 4479/4885ALDH1A1 570/4885NPC1 1273/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 NOTUM 4591/4885ALDH1A1 531/4885NPC1 1966/4885

“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.