SCHEMBL1969958

SCHEMBL1969958

O=C(c1cncnc1-c1ccc(Br)c(Cl)c1)N(CCc1c[nH]c2ccccc12)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 10/20 0.41
CCND1 P24385 10/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
MC4R P32245 3/20 0.39
MC5R P33032 3/20 0.39
MC3R P41968 3/20 0.39
CDK2 P24941 3/20 0.39
TACR2 P21452 3/20 0.39

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
SCHEMBL1970037 0.93 CDK4 (0.43) CDK4CCND1HCRTR1HCRTR2MC4R
SCHEMBL1970563 0.90 CDK4 (0.45) CDK4CCND1HCRTR1HCRTR2CDK2
SCHEMBL1967451 0.89 CDK4 (0.43) CDK4CCND1HCRTR1HCRTR2MC4R
SCHEMBL1967743 0.88 CDK4 (0.41) CDK4CCND1MC4RMC5RMC3R
SCHEMBL1971772 0.87 MC4R (0.47) CDK4CCND1MC4RMC5RMC3R
SCHEMBL1969890 0.87 CDK4 (0.43) CDK4CCND1HCRTR1HCRTR2MC4R
SCHEMBL1971745 0.86 CDK4 (0.50) CDK4CCND1MC4RMC5RMC3R
SCHEMBL1967560 0.86 CDK4 (0.49) CDK4CCND1MC4RMC5RMC3R
SCHEMBL1970004 0.85 CDK4 (0.48) CDK4CCND1HCRTR1HCRTR2MC4R
SCHEMBL1970634 0.85 CDK4 (0.47) CDK4CCND1MC4RMC5RMC3R

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
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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 CDK4 3031/4885CCND1 3178/4885HCRTR1 2/4885

“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.