SCHEMBL1619035

SCHEMBL1619035

CNC(=O)N1CCNCC1Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA4 P22748 2/20 0.57
CA9 Q16790 2/20 0.57
SLC6A4 P31645 6/20 0.54
SLC6A3 Q01959 6/20 0.54
SLC6A2 P23975 5/20 0.54
DPP4 P27487 4/20 0.52
DPP7 Q9UHL4 2/20 0.50
REN P00797 2/20 0.48
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1619197 0.86 CA1 (0.56) CA1CA2CA4CA9SLC6A4
SCHEMBL590923 0.85 CA1 (0.62) CA1CA2CA4CA9SLC6A4
SCHEMBL28045116 0.85 CA1 (0.62) CA1CA2CA4CA9SLC6A4
SCHEMBL3507369 0.83 CA1 (0.53) CA1CA2CA4CA9SLC6A4
SCHEMBL3507364 0.83 CA1 (0.53) CA1CA2CA4CA9SLC6A4
SCHEMBL4584365 0.82 CA1 (0.63) CA1CA2CA4CA9SLC6A4
SCHEMBL8499274 0.82 CA1 (0.60) CA1CA2CA4CA9SLC6A4
SCHEMBL7475303 0.81 CA1 (0.56) CA1CA2CA4CA9SLC6A4
SCHEMBL3895342 0.80 CA1 (0.50) CA1CA2CA4CA9SLC6A4
SCHEMBL12398794 0.80 DPP4 (0.55) CA1CA2CA4CA9SLC6A4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners INFINITY DISCOVERY, INC. (US) 2011-09-01 US disclosed
US-7928244-B2 Isoxazolidine small molecules; cancer, hyperproliferation disorders; blocking antiapoptotic function INFINITY DISCOVERY, INC. (US) 2011-04-19 US disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
EP-1063991-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY LLC (US) 2001-01-03 EP disclosed
EP-1047450-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 2000-11-02 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
EP-0946166-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1999-10-06 EP disclosed
WO-1999047138-A1 STATIN-MATRIX METALLOPROTEINASE INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-09-23 WO disclosed
WO-1999032150-A1 ACE INHIBITOR-MMP INHIBITOR COMBINATIONS WARNER-LAMBERT COMPANY (US) 1999-07-01 WO disclosed
WO-1998026773-A1 USE OF MATRIX METALLOPROTEINASE INHIBITORS FOR TREATING NEUROLOGICAL DISORDERS AND PROMOTING WOUND HEALING WARNER-LAMBERT COMPANY (US) 1998-06-25 WO 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-20110213145-A1 Compounds and Methods for Inhibiting the Interaction of BCL Proteins with Binding Partners BCL2, BCL2L1, BCL2L11 CA1 3658/4885CA2 3247/4885CA4 4586/4885

“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.