SCHEMBL1974556

SCHEMBL1974556

O=C(c1cncnc1-c1ccccc1)N(CCc1c[nH]c2cc(F)c(F)cc12)CC1CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.37
MC5R P33032 2/20 0.37
MC3R P41968 2/20 0.37
HTR1A P08908 5/20 0.36
TDO2 P48775 1/20 0.35
CDK4 P11802 6/20 0.35
CCND1 P24385 6/20 0.35
CDK2 P24941 2/20 0.35
TACR2 P21452 2/20 0.34
SLC6A4 P31645 4/20 0.34
PKM P14618 1/20 0.34
OXTR P30559 1/20 0.33
AVPR1A P37288 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33

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
SCHEMBL1970625 0.94 MC4R (0.35) MC4RMC5RMC3RHTR1ACDK4
SCHEMBL1968324 0.91 HTR1A (0.44) HTR1ACDK4CCND1SLC6A4
SCHEMBL1971772 0.89 MC4R (0.47) MC4RMC5RMC3RHTR1ACDK4
SCHEMBL1970552 0.87 MC4R (0.36) MC4RMC5RMC3RHTR1ACDK4
SCHEMBL1967560 0.86 CDK4 (0.49) MC4RMC5RMC3RCDK4CCND1
SCHEMBL1970634 0.85 CDK4 (0.47) MC4RMC5RMC3RCDK4CCND1
SCHEMBL1971745 0.82 CDK4 (0.50) MC4RMC5RMC3RCDK4CCND1
SCHEMBL1970004 0.82 CDK4 (0.48) MC4RMC5RMC3RCDK4CCND1
SCHEMBL1967743 0.82 CDK4 (0.41) MC4RMC5RMC3RCDK4CCND1
SCHEMBL1979690 0.81 NTRK1 (0.36) MC4RMC5RMC3RHTR1ACDK4

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 MC4R 58/4885MC5R 116/4885MC3R 34/4885

“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.