SCHEMBL4537702

SCHEMBL4537702

O=C1CCCC(=O)N1Cc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.54
HCRTR2 O43614 17/20 0.54
CHRM5 P08912 1/20 0.53
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL11100815 0.94 CHRM5 (0.56) HCRTR1HCRTR2CHRM5ALDH1A1TSHR
SCHEMBL30767534 0.79 GCGR (0.48) HCRTR1HCRTR2CHRM5
SCHEMBL40778 0.79 CMA1 (0.66) HCRTR1HCRTR2ALDH1A1
SCHEMBL7952768 0.78 CA1 (0.51) HCRTR1HCRTR2CHRM5ALDH1A1TSHR
SCHEMBL2097565 0.76 CHRM5 (0.52) CHRM5ALDH1A1
SCHEMBL19233352 0.76 KMT2A (0.69) HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL745994 0.76 CHRM5 (0.48) HCRTR1HCRTR2CHRM5ALDH1A1TSHR
SCHEMBL2056195 0.76 CHRM5 (0.51) HCRTR1HCRTR2CHRM5ALDH1A1
SCHEMBL12625981 0.75 ALDH1A1 (0.66) CHRM5ALDH1A1TSHR
SCHEMBL9677874 0.75 CHRM5 (0.60) HCRTR1HCRTR2CHRM5

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 HCRTR1 2/4885HCRTR2 1/4885CHRM5 218/4885

“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.