SCHEMBL2404306

SCHEMBL2404306

COc1ccc(C(O)CN(CC2CC2)C(=O)c2nc(N)sc2-c2ccc(C)cc2)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
KDM4E B2RXH2 4/20 0.37
PKM P14618 3/20 0.37
HCRTR1 O43613 4/20 0.37
HCRTR2 O43614 4/20 0.37
NPC1 O15118 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 1/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 3/20 0.34
HPGD P15428 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
SCHEMBL1966594 0.93 KDM4E (0.43) KDM4EPKMHCRTR1HCRTR2RCE1
SCHEMBL1967405 0.91 HCRTR1 (0.44) OXTRAVPR1AKDM4EPKMHCRTR1
SCHEMBL2406218 0.89 HCRTR1 (0.40) OXTRAVPR1AHCRTR1HCRTR2NPC1
SCHEMBL1968403 0.87 HCRTR1 (0.44) OXTRKDM4EPKMHCRTR1HCRTR2
SCHEMBL1967188 0.87 LPAR1 (0.36) KDM4EPKMHCRTR1HCRTR2RCE1
SCHEMBL2404671 0.85 HCRTR1 (0.43) OXTRAVPR1AHCRTR1HCRTR2PDE4B
SCHEMBL1970670 0.85 HCRTR1 (0.44) HCRTR1HCRTR2PDE4BMAPT
SCHEMBL1966449 0.85 LPAR1 (0.35) OXTRAVPR1AKDM4EHCRTR1HCRTR2
SCHEMBL1971731 0.85 HCRTR1 (0.46) HCRTR1HCRTR2PDE4BTP53MAPT
SCHEMBL2405009 0.84 HCRTR1 (0.44) OXTRAVPR1AHCRTR1HCRTR2PDE4B

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 OXTR 16/4885AVPR1A 14/4885KDM4E 452/4885

“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.