SCHEMBL18607635

SCHEMBL18607635

FC(F)(F)c1cccc(NC2CCCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 7/20 0.57
CTSK P43235 1/20 0.53
HCRTR1 O43613 1/20 0.49
HCRTR2 O43614 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MALT1 Q9UDY8 2/20 0.47
PTGS2 P35354 2/20 0.47
IDH2 P48735 2/20 0.46
TLR7 Q9NYK1 2/20 0.44
SYK P43405 1/20 0.42
KCNH2 Q12809 1/20 0.42
AGER Q15109 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41

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
SCHEMBL16392915 0.76 IDH1 (0.95) IDH1IDH2
SCHEMBL13915436 0.74 ALDH1A1 (0.60) CTSKKDM4E
SCHEMBL16334530 0.74 CTSK (0.57) IDH1CTSKKDM4EIDH2SYK
SCHEMBL3474328 0.74 IDH1 (0.50) IDH1KDM4EIDH2KCNH2
SCHEMBL16392937 0.73 IDH1 (1.00) IDH1IDH2
SCHEMBL19068519 0.73 HCRTR2 (0.46) IDH1HCRTR1HCRTR2IDH2
SCHEMBL29632510 0.72 CTSK (0.59) CTSKKDM4ESYK
SCHEMBL29632728 0.72 CTSK (0.59) CTSKKDM4ESYK
SCHEMBL18760238 0.72 IDH1 (0.85) IDH1IDH2
SCHEMBL3119474 0.72 MALT1 (0.88) CTSKMALT1KCNH2

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 IDH1 3915/4885CTSK 2112/4885HCRTR1 1/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R IDH1 3915/4885CTSK 2112/4885HCRTR1 1/4885
US-10689373-B2 1,2-substituted cyclopentanes as orexin receptor antagonists HCRTR1, HCRTR2, NPY1R IDH1 4133/4885CTSK 2124/4885HCRTR1 1/4885

“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.