SCHEMBL3748591

SCHEMBL3748591

N[C@H]1CCCC[C@@H]1c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
AGTR1 P30556 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 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
SCHEMBL1643847 1.00 DPP4 (0.50) DPP4GAATSHRAGTR1HTR2A
SCHEMBL1644655 1.00 DPP4 (0.50) DPP4GAATSHRAGTR1HTR2A
SCHEMBL1643851 1.00 DPP4 (0.50) DPP4GAATSHRAGTR1HTR2A
SCHEMBL16211980 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
SCHEMBL22437509 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
SCHEMBL29023696 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
SCHEMBL29457652 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
SCHEMBL16372470 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
SCHEMBL29023699 0.89 HTR2A (0.53) DPP4GAATSHRAGTR1HTR2A
Hydrochloric Acid SCHEMBL16372240 0.87 HTR2A (0.56) DPP4GAATSHRAGTR1HTR2A

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 DPP4 1/4885GAA 128/4885TSHR 3296/4885

“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.