SCHEMBL1970137

SCHEMBL1970137

Cc1cccc(-c2nccnc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.49
MC4R P32245 2/20 0.42
MC5R P33032 2/20 0.42
MC3R P41968 1/20 0.42
CDK4 P11802 7/20 0.42
CCND1 P24385 7/20 0.42
CDK2 P24941 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SNCA P37840 1/20 0.40
PTGS1 P23219 1/20 0.40
BCHE P06276 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
ADRA1D P25100 1/20 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
SCHEMBL1969305 0.90 TACR2 (0.39) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1971735 0.90 HTR1A (0.42) TACR2CDK4CCND1HTR1AHTR2A
SCHEMBL1975037 0.87 HTR6 (0.43) TACR2CDK4CCND1BCHEHTR1A
SCHEMBL1976003 0.87 TACR2 (0.37) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1968625 0.86 TACR2 (0.53) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1972300 0.86 CDK4 (0.49) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1967482 0.86 TACR2 (0.48) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1971560 0.84 TACR2 (0.46) TACR2MC4RMC5RMC3RCDK4
SCHEMBL1969998 0.83 CDK4 (0.51) TACR2MC4RMC5RMC3RCDK4
SCHEMBL2406987 0.82 TACR2 (0.40) TACR2MC4RMC5RMC3RCDK4

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 TACR2 90/4885MC4R 58/4885MC5R 116/4885

“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.