SCHEMBL3750708

SCHEMBL3750708

O=[N+]([O-])C1CC(CO)=C(Br)CC1c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
DPP4 P27487 8/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPM5 Q9NZQ8 3/20 0.32
GAA P10253 1/20 0.32
AGTR1 P30556 1/20 0.32
TRPM4 Q8TD43 1/20 0.30
ENPP2 Q13822 1/20 0.30

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
SCHEMBL3750706 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3750710 1.00 HTR2A (0.36) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3743804 0.82 ALDH1A1 (0.37) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3743810 0.82 ALDH1A1 (0.37) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3743799 0.82 ALDH1A1 (0.37) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3742824 0.80 DPP4 (0.35) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3742830 0.80 DPP4 (0.35) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3742828 0.80 DPP4 (0.35) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3743670 0.77 DPP4 (0.40) HTR2AHTR2CHTR2BDPP4MEN1
SCHEMBL3743674 0.77 DPP4 (0.40) HTR2AHTR2CHTR2BDPP4MEN1

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 HTR2A 2636/4885HTR2C 3324/4885HTR2B 3159/4885

“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.