SCHEMBL2408535

SCHEMBL2408535

COc1cccc2c(CCN(CC3CC3)C(=O)c3nc(C)sc3-c3ccc(C)c(C)c3)c[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 12/20 0.43
HCRTR1 O43613 11/20 0.43
HTR6 P50406 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
HTR2A P28223 1/20 0.38
WDR5 P61964 1/20 0.36
HTR1A P08908 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL2405049 0.92 HCRTR2 (0.39) HCRTR2HCRTR1HTR2A
SCHEMBL2410555 0.89 MPO (0.38) HCRTR2HCRTR1
SCHEMBL2406185 0.88 HCRTR2 (0.41) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL1968411 0.88 HCRTR1 (0.43) HCRTR2HCRTR1WDR5OXTRAVPR1A
SCHEMBL2405245 0.86 CDK4 (0.42) HCRTR2HCRTR1
SCHEMBL2406776 0.86 HTR6 (0.43) HTR6MTNR1AMTNR1BHTR2AWDR5
SCHEMBL2410412 0.85 HTR6 (0.41) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2408086 0.84 HCRTR2 (0.51) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2405508 0.84 HCRTR2 (0.45) HCRTR2HCRTR1HTR6MTNR1AMTNR1B
SCHEMBL2407735 0.83 HCRTR2 (0.43) HCRTR2HCRTR1HTR6HTR2AWDR5

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.