SCHEMBL1749339

SCHEMBL1749339

CCN(CC)CCN(C(C)=O)C1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
CCR5 P51681 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL1749338 1.00 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6206413 0.97 MAPT (0.50) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1750106 0.92 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1750104 0.92 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749240 0.84 GFER (0.40) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749237 0.84 GFER (0.40) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4351231 0.83 MAPT (0.57) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL2636121 0.83 MCHR1 (0.45) CCR5
SCHEMBL1749521 0.79 MCHR1 (0.54) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1748971 0.79 MCHR1 (0.54) MAPTALDH1A1MAPK1LMNASMN1; 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 6 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
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP 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
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 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 (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 MAPT 4824/4885ALDH1A1 286/4885MAPK1 496/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885MAPK1 745/4885

“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.