SCHEMBL2403499

SCHEMBL2403499

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3c(F)cccc23)CC2CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MPO P05164 7/20 0.38
HCRTR1 O43613 12/20 0.36
HCRTR2 O43614 12/20 0.36
SLC6A4 P31645 4/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 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
SCHEMBL2409465 0.92 HCRTR2 (0.39) HCRTR1HCRTR2CDK4CCND1
SCHEMBL2410412 0.90 HTR6 (0.41) HCRTR1HCRTR2CDK4CCND1
SCHEMBL2407464 0.89 CDK4 (0.47) HCRTR2CDK4CCND1
SCHEMBL2406479 0.88 HTR2A (0.39) HCRTR1HCRTR2CDK4CCND1
SCHEMBL1968997 0.88 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL2408924 0.87 HTR1A (0.42) MPOHCRTR2SLC6A4CDK4CCND1
SCHEMBL2406456 0.87 HTR1A (0.38) HCRTR1HCRTR2SLC6A4CDK4CCND1
SCHEMBL2405605 0.87 CDK4 (0.39) HCRTR1HCRTR2CDK4CCND1
SCHEMBL2407843 0.87 ICMT (0.41) HCRTR1HCRTR2SLC6A4CDK4CCND1
SCHEMBL2410555 0.85 MPO (0.38) MPOHCRTR1HCRTR2SLC6A4

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 MPO 3915/4885HCRTR1 2/4885HCRTR2 1/4885

“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.