SCHEMBL16655218

SCHEMBL16655218

O=C(O)c1cc(Cl)ccc1-n1cccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.51
NR4A1 P22736 1/20 0.51
NOTUM Q6P988 2/20 0.47
HCRTR1 O43613 4/20 0.46
ALDH1A1 P00352 4/20 0.46
TP53 P04637 1/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 1/20 0.46
MDM2 Q00987 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
G6PD P11413 1/20 0.45
HCRTR2 O43614 3/20 0.43
MAT2A P31153 2/20 0.42

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
SCHEMBL16666154 0.87 NOTUM (0.46) NOTUMHCRTR1ALDH1A1LMNAMEN1
SCHEMBL30048018 0.82 KCNN4 (0.52) HCRTR1ALDH1A1LMNAMEN1MAPT
SCHEMBL17007197 0.82 KCNN4 (0.52) HCRTR1ALDH1A1LMNAMEN1MAPT
SCHEMBL9955483 0.82 HCRTR1 (0.46) HCRTR1ALDH1A1LMNAMEN1MAPT
SCHEMBL1339393 0.79 ALDH1A1 (0.50) MYCNR4A1HCRTR1ALDH1A1LMNA
SCHEMBL17007296 0.79 MYC (0.51) MYCNR4A1NOTUMHCRTR1ALDH1A1
SCHEMBL16464646 0.78 MEN1 (0.48) HCRTR1ALDH1A1LMNAMEN1MAPT
SCHEMBL1586432 0.78 MYC (0.57) MYCNR4A1NOTUMHCRTR1ALDH1A1
SCHEMBL30644067 0.78 MYC (0.57) MYCNR4A1NOTUMHCRTR1ALDH1A1
SCHEMBL30055522 0.77 NOTUM (0.56) NOTUMALDH1A1LMNAMEN1MAPT

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 15 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 disclosed
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 US disclosed
EP-3057957-B1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2018-01-03 EP disclosed
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
EP-3107898-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-12-28 EP disclosed
US-9493432-B2 Cyclopentylbenzamide derivatives and their use for the treatment of psychotic and cognitive disorders TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2016-11-15 US disclosed
EP-3057957-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-08-24 EP disclosed
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-04 US disclosed
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-04 US disclosed
US-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-04 US disclosed
US-9156829-B2 Cycloalkyl and heterocycloalkyl compounds as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-13 US disclosed
WO-2015124932-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2015-08-27 WO disclosed
US-20150232460-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-08-20 US disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 WO disclosed
WO-2015055994-A1 CYCLOPENTYLBENZAMIDE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF PSYCHOTIC AND COGNITIVE DISORDERS TAKEDA CAMBRIDGE LIMITED (GB) 2015-04-23 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 (4 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-20160222030-A1 Cyclopentylbenzamide Derivatives and their Use for the Treatment of Psychotic and Cognitive Disorders CNR1, GABRR1, GRIN2A MYC 2437/4885NR4A1 352/4885NOTUM 3800/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R MYC 3936/4885NR4A1 154/4885NOTUM 4545/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R MYC 3936/4885NR4A1 154/4885NOTUM 4545/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 MYC 3928/4885NR4A1 446/4885NOTUM 4591/4885

“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.