SCHEMBL4591922

SCHEMBL4591922

CN(Cc1ccccc1)c1ccc(CCCN)nn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
TSHR P16473 2/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
AOC3 Q16853 1/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
BRD4 O60885 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GLS O94925 1/20 0.35
ERAP1 Q9NZ08 1/20 0.35

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
SCHEMBL4591873 0.76 MAOA (0.55) SMN1; SMN2MAOASIGMAR1GLS
SCHEMBL3006889 0.75 KDM4E (0.40) SMN1; SMN2MAPTKDM4ELMNAHTT
SCHEMBL4591816 0.75 ALDH1A1 (0.55) SMN1; SMN2MAOAALDH1A1SIGMAR1GLS
SCHEMBL3008603 0.72 KDM4E (0.47) SMN1; SMN2CARM1PRMT6PRMT8MAPT
SCHEMBL3006293 0.72 HRH3 (0.52) LMNAALDH1A1SIGMAR1
SCHEMBL27303499 0.70 GAA (0.47) GBA1SMN1; SMN2CARM1PRMT6PRMT8
SCHEMBL5421880 0.68 GLS (0.49) SMN1; SMN2MAPTKDM4ELMNAKMT2A
SCHEMBL4592109 0.68 MCHR1 (0.47) SMN1; SMN2MAPTLMNAHTTMAOA
SCHEMBL4591920 0.67 CYP1A2 (0.40) SMN1; SMN2TSHRKMT2AMAOAALDH1A1
SCHEMBL4747138 0.66 CHRM2 (0.63) SMN1; SMN2MAPTKDM4ELMNATSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943231-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-16 EP disclosed
US-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds ROTH GERALD J 2007-05-17 US disclosed
WO-2007048802-A1 (HETERO)ARYL COMPOUNDS WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-03 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-20070111981-A1 New (hetero)aryl compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, GPR119, MCHR2 GBA1 1698/4885SMN1; SMN2 4210/4885CARM1 736/4885

“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.