SCHEMBL4536111

SCHEMBL4536111

OCc1cccc(-c2cncs2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
DYRK1A Q13627 2/20 0.46
FYN P06241 7/20 0.44
HCRTR1 O43613 3/20 0.42
HCRTR2 O43614 3/20 0.42
CD38 P28907 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
CDK8 P49336 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 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
SCHEMBL9454348 0.87 PRKCI (0.41) PRKCIDYRK1AFYNHCRTR1HCRTR2
SCHEMBL9454357 0.87 PRKCI (0.41) PRKCIDYRK1AFYNHCRTR1HCRTR2
SCHEMBL12515632 0.84 MKNK1 (0.47) DYRK1AFYNCD38DYRK2DYRK1B
SCHEMBL17794412 0.83 DYRK1A (0.46) DYRK1AHCRTR1HCRTR2CD38DYRK2
SCHEMBL4777483 0.81 HCRTR1 (0.46) DYRK1AHCRTR1HCRTR2CHRNA7DYRK2
SCHEMBL27945878 0.80 DYRK1A (0.43) DYRK1AHCRTR1HCRTR2CD38DYRK2
SCHEMBL21778097 0.80 MMP3 (0.53) DYRK1AHCRTR1HCRTR2DYRK2DYRK1B
SCHEMBL753371 0.77 HSD17B1 (0.55) DYRK1AHSD17B1HSD17B2
SCHEMBL15125574 0.76 GRIN2B (0.53) PRKCIDYRK1AHCRTR1HCRTR2
SCHEMBL4742992 0.76 ALDH1A1 (0.49) CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 US disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 EP disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 US disclosed
CN-103201261-A Lactam derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD 2013-07-10 CN disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 WO 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-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R PRKCI 3696/4885DYRK1A 1874/4885FYN 2717/4885

“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.