SCHEMBL17017348

SCHEMBL17017348

Cc1cnc(N[C@H]2CCC[C@@H]2N)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.44
FER P16591 2/20 0.39
MAPK1 P28482 4/20 0.38
KCNH2 Q12809 4/20 0.38
MAPK3 P27361 3/20 0.38
AURKB Q96GD4 3/20 0.38
GP6 Q9HCN6 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
PDPK1 O15530 1/20 0.38
DAPK3 O43293 1/20 0.38
DYRK3 O43781 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
RPS6KA5 O75582 1/20 0.38
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38

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
SCHEMBL17017350 0.85 SYK (0.46) SYKFERMAPK1KCNH2MAPK3
SCHEMBL17017347 0.83 FER (0.45) SYKFERMAPK1KCNH2MAPK3
SCHEMBL17021482 0.81 HCRTR1 (0.53) HCRTR1
Hydrochloric Acid SCHEMBL17007260 0.80 HCRTR1 (0.52) HCRTR1
Hydrochloric Acid SCHEMBL17007258 0.80 HCRTR1 (0.52) HCRTR1
SCHEMBL17021448 0.75 HCRTR1 (0.53) SYKFERMAPK1CDC7PLK4
SCHEMBL17017329 0.75 SYK (0.44) SYKFERMAPK1KCNH2MAPK3
Hydrochloric Acid SCHEMBL17007318 0.74 HCRTR1 (0.52) SYKFERMAPK1CDC7PLK4
Hydrochloric Acid SCHEMBL17007319 0.74 HCRTR1 (0.52) SYKFERMAPK1CDC7PLK4
SCHEMBL17017349 0.74 HCRTR1 (0.43) SYKHCRTR1

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 4 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-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 (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 SYK 1981/4885FER 1690/4885MAPK1 2428/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R SYK 1981/4885FER 1690/4885MAPK1 2428/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 SYK 1560/4885FER 1275/4885MAPK1 3116/4885

“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.