SCHEMBL2406456

SCHEMBL2406456

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3cc(F)ccc23)CC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.38
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
HCRTR2 O43614 4/20 0.36
HCRTR1 O43613 3/20 0.36
HTR2A P28223 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
SLC6A4 P31645 3/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34

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
SCHEMBL2408924 0.94 HTR1A (0.42) HTR1ACDK4CCND1HCRTR2HTR2A
SCHEMBL2405605 0.94 CDK4 (0.39) CDK4CCND1HCRTR2HCRTR1HTR2A
SCHEMBL2408939 0.91 HCRTR1 (0.39) CDK4CCND1HCRTR2HCRTR1SLC6A4
SCHEMBL2407464 0.91 CDK4 (0.47) CDK4CCND1HCRTR2BCHEACHE
SCHEMBL2407863 0.90 HCRTR2 (0.42) CDK4CCND1HCRTR2HCRTR1HTR2A
SCHEMBL2407843 0.89 ICMT (0.41) HTR1ACDK4CCND1HCRTR2HCRTR1
SCHEMBL2406479 0.87 HTR2A (0.39) CDK4CCND1HCRTR2HCRTR1HTR2A
SCHEMBL2403499 0.87 MPO (0.38) CDK4CCND1HCRTR2HCRTR1SLC6A4
SCHEMBL2404560 0.87 ICMT (0.39) HTR1ACDK4CCND1HCRTR2HCRTR1
SCHEMBL2403908 0.86 HCRTR2 (0.42) HTR1ACDK4CCND1HCRTR2HTR2A

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 2 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

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 HTR1A 56/4885CDK4 3031/4885CCND1 3178/4885

“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.