SCHEMBL2636071

SCHEMBL2636071

CNC1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.54
MCHR1 Q99705 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ADRA2C P18825 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

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
SCHEMBL22184436 1.00 HRH4 (0.54) HRH4MCHR1KDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL6376425 0.98 HRH4 (0.52) HRH4MCHR1KDM4EALDH1A1GAA
SCHEMBL3440289 0.89 MAPT (0.55) HRH4MCHR1KDM4EALDH1A1GAA
SCHEMBL2635959 0.87 MAPT (0.47) HRH4MCHR1KDM4EALDH1A1GAA
SCHEMBL27389150 0.86 HRH4 (0.54) HRH4MCHR1
SCHEMBL30230101 0.86 HRH4 (0.54) HRH4MCHR1
SCHEMBL16423528 0.84 NOTUM (0.51) HRH4MCHR1ALDH1A1MAPTGFER
SCHEMBL9636512 0.84 MCHR1 (0.58) HRH4MCHR1
SCHEMBL27752849 0.84 MCHR1 (0.58) HRH4MCHR1
SCHEMBL31387122 0.82 HRH4 (0.54) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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 (2 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 HRH4 435/4885MCHR1 1838/4885KDM4E 2966/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 HRH4 439/4885MCHR1 2068/4885KDM4E 2896/4885

“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.