SCHEMBL1967032

SCHEMBL1967032

Cc1nc(C(=O)N(CCc2ccccc2Cl)CC2CC2)c(-c2ccc(C)c(C)c2)s1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.46
HCRTR2 O43614 17/20 0.46
GPR52 Q9Y2T5 1/20 0.39
CRHR1 P34998 1/20 0.39
OXTR P30559 1/20 0.37

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
SCHEMBL2405189 0.91 HCRTR1 (0.47) HCRTR1HCRTR2CRHR1
SCHEMBL2407371 0.90 HCRTR1 (0.42) HCRTR1HCRTR2OXTR
SCHEMBL1968411 0.89 HCRTR1 (0.43) HCRTR1HCRTR2OXTR
SCHEMBL1969001 0.88 HCRTR1 (0.41) HCRTR1HCRTR2OXTR
SCHEMBL2404285 0.87 HCRTR1 (0.39) HCRTR1HCRTR2CRHR1OXTR
SCHEMBL1968375 0.86 HCRTR1 (0.41) HCRTR1HCRTR2GPR52CRHR1OXTR
SCHEMBL2405600 0.86 HCRTR1 (0.40) HCRTR1HCRTR2CRHR1OXTR
SCHEMBL2404704 0.86 HCRTR1 (0.40) HCRTR1HCRTR2CRHR1
SCHEMBL2405245 0.85 CDK4 (0.42) HCRTR1HCRTR2
SCHEMBL2406370 0.84 HCRTR1 (0.41) HCRTR1HCRTR2CRHR1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US claimed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 HCRTR1 2/4885HCRTR2 1/4885GPR52 122/4885

“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.