SCHEMBL17017335

SCHEMBL17017335

CC1CCCC1(C)NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.36
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CTSK P43235 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HCRTR2 O43614 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
SCHEMBL15827486 0.90 KMT2A (0.39) BTKGAAMEN1MAPK1KMT2A
SCHEMBL27963434 0.84 BTK (0.38) BTKGAAMEN1MAPK1KMT2A
SCHEMBL16654374 0.84 BTK (0.38) BTKGAAMEN1MAPK1KMT2A
SCHEMBL3052729 0.81 BTK (0.46) BTKGAAMEN1MAPK1KMT2A
SCHEMBL17007379 0.81 BTK (0.46) BTKGAAMEN1MAPK1KMT2A
SCHEMBL27963435 0.81 BTK (0.38) BTKGAAMEN1MAPK1KMT2A
SCHEMBL3378203 0.80 BTK (0.35) BTKGAAMEN1MAPK1KMT2A
SCHEMBL17007311 0.80 BTK (0.35) BTKGAAMEN1MAPK1KMT2A
SCHEMBL28834730 0.79 BTK (0.35) BTKGAAMEN1MAPK1KMT2A
SCHEMBL28055198 0.77 HSD11B1 (0.35) BTKGAAMEN1MAPK1KMT2A

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 6 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-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-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 BTK 2192/4885GAA 1473/4885MEN1 4694/4885
US-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R BTK 2501/4885GAA 2704/4885MEN1 1052/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R BTK 2501/4885GAA 2704/4885MEN1 1052/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 BTK 772/4885GAA 1114/4885MEN1 2376/4885

“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.