SCHEMBL2406276

SCHEMBL2406276

COc1cc(CCN(CC2CC2)C(=O)c2nc(C)sc2-c2ccc(C)c(C)c2)cc(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.43
HCRTR2 O43614 16/20 0.43
TP53 P04637 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 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
SCHEMBL2404674 0.93 HCRTR1 (0.41) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL1970052 0.92 HCRTR1 (0.48) HCRTR1HCRTR2TP53OXTRAVPR1A
SCHEMBL2406307 0.90 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2405462 0.90 HCRTR1 (0.47) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL2402225 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2410706 0.88 HCRTR1 (0.46) HCRTR1HCRTR2TP53
SCHEMBL2404860 0.88 HCRTR1 (0.43) HCRTR1HCRTR2TP53OXTRAVPR1A
SCHEMBL2405944 0.88 HCRTR1 (0.43) HCRTR1HCRTR2TP53OXTRAVPR1A
SCHEMBL1968867 0.88 HCRTR1 (0.44) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL2404704 0.88 HCRTR1 (0.40) HCRTR1HCRTR2

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 HCRTR1 2/4885HCRTR2 1/4885TP53 4826/4885

“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.