SCHEMBL2408028

SCHEMBL2408028

COc1ccc(CCN(CC2CC2)C(=O)c2ccncc2-c2ccc(C)c(C)c2)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
OXTR P30559 2/20 0.41
AVPR1A P37288 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.40
LPAR1 Q92633 4/20 0.39
LPAR5 Q9H1C0 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
F2 P00734 2/20 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
SCHEMBL2410361 0.91 OXTR (0.44) LMNAOXTRAVPR1AKDM4ESMN1; SMN2
SCHEMBL2406630 0.89 NPC1 (0.43) LMNAKDM4ESMN1; SMN2TP53KMT2A
SCHEMBL2403390 0.87 DGAT2 (0.42) LMNAKDM4ESMN1; SMN2KMT2ALPAR1
SCHEMBL1969820 0.84 OXTR (0.41) LMNAOXTRAVPR1ATP53KMT2A
SCHEMBL2409952 0.83 TP53 (0.42) LMNAOXTRAVPR1ATP53KMT2A
SCHEMBL2403444 0.83 KMT2A (0.48) LMNAKDM4ESMN1; SMN2KMT2ALPAR1
SCHEMBL1970052 0.79 HCRTR1 (0.48) LMNAOXTRAVPR1AKDM4ESMN1; SMN2
SCHEMBL2405626 0.76 ALDH1A1 (0.45) LMNAOXTRAVPR1AKDM4EKMT2A
SCHEMBL1968992 0.75 ALDH1A1 (0.45) LMNAOXTRAVPR1AKDM4ESMN1; SMN2
SCHEMBL2405944 0.74 HCRTR1 (0.43) OXTRAVPR1ASMN1; SMN2TP53LPAR1

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 LMNA 2416/4885OXTR 16/4885AVPR1A 14/4885

“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.