SCHEMBL2403444

SCHEMBL2403444

COc1ccc(CCN(CC2CC2)C(=O)c2ccncc2Br)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM5 P08912 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 1/20 0.41
LPAR1 Q92633 6/20 0.41
LPAR5 Q9H1C0 6/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP51A1 Q16850 1/20 0.39

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 0.84 OXTR (0.44) KMT2AKDM4ESMN1; SMN2CHRM5CHRM1
SCHEMBL2408028 0.83 LMNA (0.41) KMT2AKDM4ESMN1; SMN2CHRM5CHRM1
SCHEMBL2405146 0.82 RAF1 (0.44) KMT2AKDM4ECHRM5CHRM1CHRM3
SCHEMBL2403390 0.82 DGAT2 (0.42) KMT2AKDM4ESMN1; SMN2CHRM5CHRM1
SCHEMBL2406630 0.82 NPC1 (0.43) KMT2AKDM4ESMN1; SMN2CHRM5CHRM1
SCHEMBL1966896 0.82 KMT2A (0.46) KMT2AKDM4ECHRM5CHRM1CHRM3
SCHEMBL2406284 0.75 LPAR1 (0.42) KMT2AKDM4ECHRM5CHRM1CHRM3
SCHEMBL2405626 0.75 ALDH1A1 (0.45) KMT2AKDM4ECHRM5CHRM1CHRM3
SCHEMBL1967737 0.74 HCRTR1 (0.46) KMT2AKDM4ECHRM5CHRM1CHRM3
SCHEMBL2407221 0.73 HCRTR1 (0.49) KMT2AKDM4ECHRM5CHRM1CHRM3

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 1 patent. 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 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 KMT2A 253/4885KDM4E 452/4885SMN1; SMN2 3751/4885

“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.