SCHEMBL2469790

SCHEMBL2469790

CSc1ccc(N)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MCL1 Q07820 1/20 0.34
SLC6A4 P31645 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33

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
SCHEMBL6570987 0.88 CYP3A4 (0.38) CA12CA1CA2CA4CA6
SCHEMBL27456633 0.82 POLB (0.35) POLBL3MBTL1ALDH1A1TSHRMCL1
SCHEMBL941988 0.81 CA12 (0.45) CA12CA1CA2CA4CA6
Hydrochloric Acid SCHEMBL7209263 0.80 NOS3 (0.35) POLBL3MBTL1ALDH1A1TSHRMCL1
SCHEMBL6371600 0.79 CYP3A4 (0.52) ALDH1A1TSHRCYP3A4TDP1MCL1
SCHEMBL913855 0.78 TDP1 (0.46) POLBALDH1A1TSHRCYP3A4TDP1
SCHEMBL10413694 0.77 CA12 (0.38) CA12CA1CA2CA4CA6
SCHEMBL10415657 0.77 KDM4E (0.43) CA12CA1CA2CA4CA6
SCHEMBL10415653 0.77 SLC6A4 (0.39) CA12CA1CA2CA4CA6
SCHEMBL9180206 0.74 NPC1 (0.41) POLBL3MBTL1ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819674-B1 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2011-10-05 EP disclosed
US-7718667-B2 Fused aminopiperidines as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2010-05-18 US disclosed
EP-1819674-A4 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2009-04-15 EP disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 US disclosed
EP-1819674-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2007-08-22 EP disclosed
WO-2006058064-A2 FUSED AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2006-06-01 WO disclosed
US-4913728-A HERBICIDES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-04-03 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-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 CA12 3522/4885CA1 3845/4885CA2 1046/4885

“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.