SCHEMBL1969305

SCHEMBL1969305

Cc1cccc(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(F)cc23)CC2CC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 2/20 0.39
HTR1A P08908 7/20 0.36
CDK4 P11802 6/20 0.35
CCND1 P24385 6/20 0.35
SLC6A4 P31645 6/20 0.34
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NUDT1 P36639 1/20 0.33
SNCA P37840 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL1976003 0.94 TACR2 (0.37) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1971735 0.92 HTR1A (0.42) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1970137 0.90 TACR2 (0.49) TACR2HTR1ACDK4CCND1MC4R
SCHEMBL1969054 0.86 HTR1A (0.37) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1965373 0.84 KMT2A (0.42) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1971236 0.84 HTR1A (0.39) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1967129 0.83 HCRTR1 (0.35) TACR2HTR1ACDK4CCND1SLC6A4
SCHEMBL1975037 0.82 HTR6 (0.43) TACR2HTR1ACDK4CCND1MTNR1A
SCHEMBL1971621 0.82 TACR2 (0.37) TACR2HTR1ASLC6A4
SCHEMBL1971560 0.80 TACR2 (0.46) TACR2CDK4CCND1MC4RMC5R

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 6 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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO 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 90/4885HTR1A 56/4885CDK4 3031/4885

“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.