SCHEMBL17017355

SCHEMBL17017355

C=Cc1nc(C)cnc1N[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 8/20 0.42
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HCRTR1 O43613 5/20 0.35
BTK Q06187 2/20 0.35
MAPK3 P27361 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CCR1 P32246 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL17007386 0.88 HCRTR1 (0.44) SYKHDAC4HDAC6HCRTR1
SCHEMBL17017357 0.82 HCRTR1 (0.43) SYKHDAC4HDAC6HCRTR1BTK
SCHEMBL17017354 0.82 HCRTR1 (0.47) SYKHDAC4HDAC6HCRTR1BTK
SCHEMBL17017351 0.77 HCRTR1 (0.44) SYKHDAC4HDAC6HCRTR1BTK
SCHEMBL17007313 0.76 HCRTR1 (0.59) HDAC4HDAC6HCRTR1
SCHEMBL17017349 0.76 HCRTR1 (0.43) SYKHDAC4HDAC6HCRTR1
SCHEMBL17017346 0.76 HCRTR1 (0.42) SYKHDAC4HDAC6HCRTR1BTK
SCHEMBL17017352 0.76 HCRTR1 (0.41) SYKHDAC4HDAC6HCRTR1BTK
SCHEMBL17007122 0.75 HCRTR1 (0.58) HDAC4HDAC6HCRTR1
SCHEMBL17028064 0.75 HCRTR1 (0.58) HDAC4HDAC6HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-06-23 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-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-10011588-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R SYK 1981/4885HDAC4 1074/4885HDAC6 1365/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R SYK 1981/4885HDAC4 1074/4885HDAC6 1365/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R SYK 2033/4885HDAC4 1041/4885HDAC6 1274/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 SYK 1560/4885HDAC4 1590/4885HDAC6 756/4885

“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.