SCHEMBL4540418

SCHEMBL4540418

Cc1cc(C=O)cnc1OC(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.38
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KDM4E B2RXH2 1/20 0.33
SRC P12931 1/20 0.33
GAA P10253 1/20 0.33
PIK3CA P42336 2/20 0.32
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
P2RX7 Q99572 1/20 0.30
ALDH1A3 P47895 1/20 0.30
PTGER4 P35408 1/20 0.30

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
SCHEMBL4536724 0.81 DRD1 (0.39) DRD1HCRTR1HCRTR2GAAALDH1A1
SCHEMBL24133692 0.81 DRD1 (0.39) DRD1GAAPIK3CAALDH1A1L3MBTL1
SCHEMBL30345266 0.81 DRD1 (0.39) DRD1GAAPIK3CAALDH1A1L3MBTL1
SCHEMBL15719149 0.79 FDPS (0.40) KDM4ESRCGAAPIK3CAALDH1A1
SCHEMBL29953000 0.77 ALDH1A1 (0.41) KDM4ESRCGAAALDH1A1L3MBTL1
SCHEMBL17248014 0.77 NOS3 (0.42) HCRTR1HCRTR2GAAPIK3CATRPV4
SCHEMBL28923138 0.76 SRC (0.35) KDM4ESRCPIK3CAALDH1A1ALDH1A3
SCHEMBL16762140 0.75 PTGS2 (0.39) KDM4ESRCALDH1A1L3MBTL1
SCHEMBL21585391 0.75 AGBL2 (0.39) DRD1HCRTR1HCRTR2GAAPIK3CA
SCHEMBL4540518 0.75 HCRTR1 (0.42) DRD1HCRTR1HCRTR2

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 5 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
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 DRD1 274/4885HCRTR1 2/4885HCRTR2 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.