SCHEMBL2405508

SCHEMBL2405508

COc1ccc2c(CCN(CC3CC3)C(=O)c3nc(C)sc3-c3ccc(C)c(C)c3)c[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 10/20 0.45
HCRTR1 O43613 8/20 0.44
HTR6 P50406 1/20 0.43
MTNR1A P48039 2/20 0.42
MTNR1B P49286 2/20 0.42
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
MAPT P10636 1/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2408086 0.94 HCRTR2 (0.51) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2407485 0.91 HCRTR2 (0.39) HCRTR2HCRTR1CDK4CCND1HTR2A
SCHEMBL2410403 0.89 HTR1A (0.40) HCRTR2HCRTR1CDK4CCND1
SCHEMBL2404821 0.89 HCRTR2 (0.39) HCRTR2HCRTR1
SCHEMBL2409735 0.89 HCRTR2 (0.46) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2405245 0.88 CDK4 (0.42) HCRTR2HCRTR1KMT2AMEN1CDK4
SCHEMBL2405458 0.87 HCRTR1 (0.44) HCRTR2HCRTR1
SCHEMBL2410043 0.86 HCRTR2 (0.40) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2404985 0.85 HTR6 (0.43) HCRTR2HTR6MTNR1AMTNR1BKMT2A
SCHEMBL2410706 0.85 HCRTR1 (0.46) HCRTR2HCRTR1MAPTALDH1A1

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 HCRTR2 1/4885HCRTR1 2/4885HTR6 177/4885

“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.