SCHEMBL16277337

SCHEMBL16277337

CC1CCCNC1CNc1ncc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.39
HCRTR2 O43614 4/20 0.38
CHRNA3 P32297 2/20 0.35
MAPK1 P28482 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
SCHEMBL15174141 1.00 HCRTR1 (0.39) HCRTR1HCRTR2CHRNA3MAPK1
SCHEMBL22761650 0.85 HCRTR1 (0.39) HCRTR1MAPK1
SCHEMBL1597983 0.80 CHRNA3 (0.43) CHRNA3MAPK1
SCHEMBL17009227 0.79 HCRTR1 (0.42) HCRTR1CHRNA3
SCHEMBL17009229 0.79 HCRTR1 (0.42) HCRTR1CHRNA3
SCHEMBL24381394 0.77 HCRTR1 (0.42) HCRTR1
SCHEMBL19207012 0.77 HCRTR1 (0.42) HCRTR1
SCHEMBL19256525 0.77 HCRTR1 (0.42) HCRTR1
SCHEMBL17009213 0.73 PRPS1 (0.36) HCRTR1HCRTR2MAPK1
SCHEMBL16031626 0.71 CDK7 (0.51) HCRTR1HCRTR2CHRNA3MAPK1

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-9440982-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2016-09-13 US disclosed
WO-2015123355-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. (US) 2015-08-20 WO disclosed
US-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-12-11 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 (1 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-20140364433-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 HCRTR1 2/4885HCRTR2 1/4885CHRNA3 137/4885

“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.