SCHEMBL8738176

SCHEMBL8738176

CN(C(=O)c1ccc(COc2cccc(Br)c2)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
MAOA P21397 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
RECQL P46063 1/20 0.45
MBTPS1 Q14703 1/20 0.45
F10 P00742 6/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
SMPD1 P17405 1/20 0.43

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
SCHEMBL15394807 0.90 MAOB (0.58) MAOBMRGPRX4MAOASMN1; SMN2MBTPS1
SCHEMBL12420571 0.80 MAOB (0.59) MAOBMAOAMBTPS1
Hydrochloric Acid SCHEMBL2195214 0.79 MAOB (0.58) MAOBMAOAMBTPS1
SCHEMBL9542255 0.78 LMNA (0.53) MAOBMRGPRX4SMN1; SMN2CYP2C19SMPD1
SCHEMBL3455822 0.75 MEN1 (0.55) MAOBSMN1; SMN2NPC1ALDH1A1
SCHEMBL8738173 0.74 SLC6A4 (0.59) SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL14967427 0.73 MRGPRX4 (0.76) MAOBMRGPRX4MAOASMN1; SMN2NPC1
SCHEMBL3456937 0.73 MAOB (0.57) MAOBMAOAALDH1A1SMPD1
SCHEMBL30938340 0.73 HTR2C (0.49) ALDH1A1
SCHEMBL14966572 0.72 MAOB (0.63) MAOBMRGPRX4MAOASMN1; SMN2NPC1

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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 WO 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 MAOB 288/4885MRGPRX4 3922/4885MAOA 325/4885

“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.