SCHEMBL4592464

SCHEMBL4592464

NCCCc1ccc(-c2ccc(F)c(F)c2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.37
HTR2A P28223 6/20 0.36
MCHR1 Q99705 6/20 0.36
CHRM1 P11229 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NOTUM Q6P988 1/20 0.36
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP17A1 P05093 1/20 0.34
KMO O15229 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4591859 0.84 MCHR1 (0.48) MAOBHTR2AMCHR1CHRM1ALDH1A1
SCHEMBL4592191 0.81 MCHR1 (0.48) MAOBHTR2AMCHR1CHRM1NOTUM
SCHEMBL4592777 0.78 LMNA (0.45) HTR2AMCHR1CHRM1ALDH1A1CYP1A2
SCHEMBL4592094 0.76 MCHR1 (0.46) HTR2AMCHR1CHRM1CYP11B1CYP11B2
SCHEMBL4591958 0.74 ALPL (0.39) HTR2AMCHR1CHRM1KMOTP53
SCHEMBL4592496 0.74 HTR2A (0.50) MAOBHTR2AMCHR1CHRM1ALDH1A1
SCHEMBL4592220 0.74 MCHR1 (0.55) MAOBHTR2AMCHR1CHRM1ALDH1A1
SCHEMBL5426112 0.74 CHRM1 (0.41) HTR2AMCHR1CHRM1GAANPC1
SCHEMBL4591798 0.73 ADRA2C (0.47) MAOBNOTUMCYP11B1GABRG2GABRB3
SCHEMBL22185936 0.67 TRPV3 (0.40) NPC1TP53PKMRAB9ASMN1; SMN2

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 MAOB 137/4885SUCNR1 207/4885HTR2A 66/4885

“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.