SCHEMBL17017304

SCHEMBL17017304

Cc1ccc(N[C@H]2CCC[C@@H]2N)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.46
KCNH2 Q12809 6/20 0.46
MAPK1 P28482 4/20 0.46
MAPK3 P27361 3/20 0.46
AURKB Q96GD4 3/20 0.46
FER P16591 2/20 0.45
CDC7 O00311 1/20 0.45
PLK4 O00444 1/20 0.45
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.45
DAPK3 O43293 1/20 0.45
DYRK3 O43781 1/20 0.45
JAK2 O60674 1/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
PRKD3 O94806 1/20 0.45
MAP4K4 O95819 1/20 0.45
PAK4 O96013 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL17017314 0.81 SYK (0.46) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL10293542 0.78 HCAR3 (0.58) SYKMAPK1MAPTRAB9APOLB
SCHEMBL2518341 0.78 SYK (0.42) SYKKCNH2MAPK1FERCDC7
SCHEMBL22131254 0.78 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL17021444 0.78 HCRTR1 (0.59) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL17007309 0.77 HCRTR1 (0.58) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL17007310 0.77 HCRTR1 (0.58) HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL17028111 0.77 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL24443029 0.76 RAB9A (0.42) SYKKCNH2MAPK1MAPK3AURKB
SCHEMBL13115780 0.75 HCAR3 (0.58) MAPK1MAP4K4PDGFRBPDGFRAMAPT

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 1981/4885KCNH2 1885/4885MAPK1 2428/4885
US-20170066744-A1 1,2-SUBSTITUTED CYCLOPENTANES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R SYK 1981/4885KCNH2 1885/4885MAPK1 2428/4885
US-20150232460-A1 NOVEL COMPOUNDS CNKSR1, RDX, RB1 SYK 1560/4885KCNH2 2309/4885MAPK1 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.