SCHEMBL4592482

SCHEMBL4592482

COc1ccc(CCCN)nn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.39
TAAR1 Q96RJ0 4/20 0.34
LOX P28300 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
HRH1 P35367 1/20 0.34
KDM4E B2RXH2 2/20 0.32
MAOB P27338 2/20 0.32
CYP2A6 P11509 1/20 0.32
ATM Q13315 1/20 0.32
LMNA P02545 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
AKT2 P31751 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL4591932 0.84 HTT (0.39) HRH1LMNASMN1; SMN2ALDH1A1HTT
SCHEMBL4600964 0.82 ACACB (0.36) HRH1
SCHEMBL4591834 0.81 NPC1 (0.37) HRH1KDM4EATMSMN1; SMN2ALDH1A1
SCHEMBL3113246 0.79 NNMT (0.44) NNMTLOXLOXL2KDM4EMAOB
Hydrochloric Acid SCHEMBL22395334 0.78 NNMT (0.42) NNMTLOXLOXL2KDM4EMAOB
SCHEMBL4591085 0.78 BCAT2 (0.53) LOXLOXL2HRH1CHRM1HTR2A
SCHEMBL16853290 0.77 HRH1 (0.42) TAAR1HRH1KDM4EFFAR1
SCHEMBL4592109 0.75 MCHR1 (0.47) HRH1MAOBLMNASMN1; SMN2ALDH1A1
SCHEMBL4592220 0.75 MCHR1 (0.55) TAAR1KDM4EMAOBLMNASMN1; SMN2
SCHEMBL4592169 0.73 MAOB (0.47) TAAR1MAOBCA12CA1CA2

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 NNMT 3182/4885TAAR1 96/4885LOX 2843/4885

“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.