SCHEMBL2407464

SCHEMBL2407464

Cc1cccc(-c2sc(N)nc2C(=O)N(CCc2c[nH]c3ccccc23)CC2CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.47
CCND1 P24385 9/20 0.47
MC4R P32245 3/20 0.42
MC5R P33032 3/20 0.42
MC3R P41968 3/20 0.42
CDK2 P24941 2/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
TACR2 P21452 2/20 0.39
PTPN1 P18031 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL2405605 0.94 CDK4 (0.39) CDK4CCND1MC4RMC5RMC3R
SCHEMBL2407843 0.94 ICMT (0.41) CDK4CCND1MC4RMC5RMC3R
SCHEMBL2406456 0.91 HTR1A (0.38) CDK4CCND1MC4RMC5RMC3R
SCHEMBL2408939 0.91 HCRTR1 (0.39) CDK4CCND1MC4RMC5RMC3R
SCHEMBL2408924 0.91 HTR1A (0.42) CDK4CCND1HCRTR2
SCHEMBL2404560 0.91 ICMT (0.39) CDK4CCND1MC4RMC5RMC3R
SCHEMBL2409465 0.90 HCRTR2 (0.39) CDK4CCND1HCRTR2MEN1MAPT
SCHEMBL2407863 0.90 HCRTR2 (0.42) CDK4CCND1BCHEACHEHCRTR2
SCHEMBL2404244 0.90 HCRTR2 (0.48) BCHEACHEHCRTR2KMT2A
SCHEMBL2406479 0.89 HTR2A (0.39) CDK4CCND1HCRTR2

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 CDK4 3031/4885CCND1 3178/4885MC4R 58/4885

“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.