SCHEMBL2406479

SCHEMBL2406479

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3cccc(F)c23)CC2CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
HCRTR1 O43613 14/20 0.36
HCRTR2 O43614 14/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL2407464 0.89 CDK4 (0.47) HCRTR2CDK4CCND1
SCHEMBL2403499 0.88 MPO (0.38) HCRTR1HCRTR2CDK4CCND1
SCHEMBL1968997 0.88 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2406456 0.87 HTR1A (0.38) HTR2AHCRTR1HCRTR2CDK4CCND1
SCHEMBL2408924 0.87 HTR1A (0.42) HTR2AHCRTR2CDK4CCND1
SCHEMBL2405605 0.87 CDK4 (0.39) HTR2AHCRTR1HCRTR2CDK4CCND1
SCHEMBL2407843 0.87 ICMT (0.41) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL2406567 0.85 HTR2A (0.41) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL2404560 0.84 ICMT (0.39) HTR2AHTR2CHTR2BHCRTR1HCRTR2
SCHEMBL2408939 0.84 HCRTR1 (0.39) HCRTR1HCRTR2CDK4CCND1

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 HTR2A 46/4885HTR2C 80/4885HTR2B 35/4885

“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.