SCHEMBL3744944

SCHEMBL3744944

N#Cc1ccc(OCC2=C(c3ccccc3)CC(c3ccc(Cl)cc3Cl)C([N+](=O)[O-])C2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
TRPV4 Q9HBA0 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
MERTK Q12866 1/20 0.33
NR3C1 P04150 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
PTGER1 P34995 1/20 0.32
EPHX2 P34913 1/20 0.32
CYP19A1 P11511 1/20 0.32
AR P10275 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 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
SCHEMBL3744945 1.00 MAOB (0.34) MAOBALDH1A1HTTMRGPRX4TRPV4
SCHEMBL3744938 1.00 MAOB (0.34) MAOBALDH1A1HTTMRGPRX4TRPV4
SCHEMBL3752846 0.90 CYP11B1 (0.39) ALDH1A1MAPTCYP19A1
SCHEMBL3752836 0.90 CYP11B1 (0.39) ALDH1A1MAPTCYP19A1
SCHEMBL3752840 0.90 CYP11B1 (0.39) ALDH1A1MAPTCYP19A1
SCHEMBL3747806 0.84 DPP4 (0.39) MAOBALDH1A1HTTMRGPRX4TRPV4
SCHEMBL3747798 0.84 DPP4 (0.39) MAOBALDH1A1HTTMRGPRX4TRPV4
SCHEMBL3747802 0.84 DPP4 (0.39) MAOBALDH1A1HTTMRGPRX4TRPV4
SCHEMBL3743799 0.80 ALDH1A1 (0.37) ALDH1A1HTT
SCHEMBL3743810 0.80 ALDH1A1 (0.37) ALDH1A1HTT

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-1919854-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBVIE INC (US) 2013-09-18 EP disclosed
US-7834012-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 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 (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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 MAOB 3481/4885ALDH1A1 1841/4885HTT 2696/4885

“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.