SCHEMBL3751693

SCHEMBL3751693

N#Cc1ccc(OCC2=C(c3cccnc3)C[C@@H](c3ccc(Cl)cc3Cl)[C@H](N)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.38
KDM1A O60341 1/20 0.37
CYP11B2 P19099 5/20 0.36
VCP P55072 3/20 0.36
CYP19A1 P11511 3/20 0.36
DPP4 P27487 4/20 0.36
GRM5 P41594 1/20 0.35
INPPL1 O15357 1/20 0.35
CYP17A1 P05093 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL3751685 1.00 CYP11B1 (0.38) CYP11B1KDM1ACYP11B2VCPCYP19A1
SCHEMBL3751690 1.00 CYP11B1 (0.38) CYP11B1KDM1ACYP11B2VCPCYP19A1
SCHEMBL3749376 0.90 DPP4 (0.39) VCPDPP4GRM5INPPL1LMNA
SCHEMBL3749384 0.90 DPP4 (0.39) VCPDPP4GRM5INPPL1LMNA
SCHEMBL3749382 0.90 DPP4 (0.39) VCPDPP4GRM5INPPL1LMNA
SCHEMBL3747806 0.89 DPP4 (0.39) CYP19A1DPP4ALDH1A1
SCHEMBL3747802 0.89 DPP4 (0.39) CYP19A1DPP4ALDH1A1
SCHEMBL3747798 0.89 DPP4 (0.39) CYP19A1DPP4ALDH1A1
SCHEMBL3752840 0.86 CYP11B1 (0.39) CYP11B1KDM1ACYP11B2VCPCYP19A1
SCHEMBL3752846 0.86 CYP11B1 (0.39) CYP11B1KDM1ACYP11B2VCPCYP19A1

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-20070049596-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2007-03-01 US claimed
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 CYP11B1 2314/4885KDM1A 2597/4885CYP11B2 2733/4885

“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.