SCHEMBL1750106

SCHEMBL1750106

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.53
ALDH1A1 P00352 4/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 1/20 0.43
CYP2C19 P33261 2/20 0.43
POLB P06746 2/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 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

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
SCHEMBL1750104 1.00 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749339 0.92 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749338 0.92 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL4351231 0.90 MAPT (0.57) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL6206413 0.89 MAPT (0.50) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749643 0.79 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL1749642 0.79 MAPT (0.53) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL5490336 0.78 MAPT (0.52) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3551943 0.77 MAPT (0.50) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL3552341 0.77 MAPT (0.50) 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 4 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
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 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.