SCHEMBL17017307

SCHEMBL17017307

Cc1noc(-c2ccccc2C(=O)N[C@H]2CCC[C@@H]2N)n1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.65
HCRTR2 O43614 7/20 0.60
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL22131250 1.00 HCRTR1 (0.65) HCRTR1HCRTR2POLBALDH1A1TP53
Hydrochloric Acid SCHEMBL17007132 0.99 HCRTR1 (0.64) HCRTR1HCRTR2POLBALDH1A1TP53
SCHEMBL16666165 0.87 HCRTR1 (0.67) HCRTR1HCRTR2POLBALDH1A1TP53
SCHEMBL17017374 0.83 HCRTR1 (0.83) HCRTR1HCRTR2ALDH1A1TP53
SCHEMBL17166372 0.83 HCRTR1 (0.83) HCRTR1HCRTR2ALDH1A1TP53
SCHEMBL17166368 0.83 HCRTR1 (0.80) HCRTR1HCRTR2POLB
SCHEMBL17017373 0.83 HCRTR1 (0.80) HCRTR1HCRTR2POLB
SCHEMBL17017366 0.83 HCRTR1 (0.78) HCRTR1HCRTR2ALDH1A1TP53
SCHEMBL17021492 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17007177 0.79 HCRTR1 (1.00) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-07-03 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
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US 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
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
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
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 (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 HCRTR1 72/4885HCRTR2 202/4885POLB 2895/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885POLB 4758/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R HCRTR1 1/4885HCRTR2 2/4885POLB 4758/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 HCRTR1 631/4885HCRTR2 1815/4885POLB 4081/4885

“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.