SCHEMBL905296

SCHEMBL905296

COC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
PTPN1 P18031 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
SCHEMBL905297 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1GLANPSR1MAPT
SCHEMBL31178079 1.00 ALDH1A1 (0.36) ALDH1A1L3MBTL1GLANPSR1MAPT
SCHEMBL14216723 0.82 ALDH1A1 (0.36) ALDH1A1L3MBTL1GLANPSR1MAPT
SCHEMBL15440894 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1GLANPSR1
SCHEMBL11301100 0.79 L3MBTL1 (0.34) ALDH1A1L3MBTL1GLANPSR1
SCHEMBL3679801 0.79 L3MBTL1 (0.34) ALDH1A1L3MBTL1GLANPSR1
SCHEMBL5318288 0.79 ALDH1A1 (0.34) ALDH1A1L3MBTL1GLANPSR1
SCHEMBL30834973 0.78 ALDH1A1 (0.33) ALDH1A1L3MBTL1MAPT
SCHEMBL1604416 0.77 GRM2 (0.31)
SCHEMBL31178073 0.77 GRM2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995615-A1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV AND THEIR PHARMACEUTICAL USE AstraZeneca AB (SE) 2016-03-16 EP disclosed
EP-2272825-B1 Protected amino hydroxy adamantane carboxylic acid and process for its preparation ASTRAZENECA AB (SE) 2015-11-04 EP disclosed
EP-1559710-B1 Dipeptidyl peptidase IV inhibitors based on cyclopropyl-fused pyrrolidine, process for their preparation and their use BRISTOL MYERS SQUIBB CO (US) 2014-02-26 EP disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 US disclosed
EP-2272825-A2 N-Protected amino hydroxy adamantane carboxylic acid and process for its preparation Bristol-Myers Squibb Company (US) 2011-01-12 EP disclosed
EP-1261586-B1 CYCLOPROPYL-FUSED PYRROLIDINE-BASED INHIBITORS OF DIPEPTIDYL PEPTIDASE IV, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BRISTOL MYERS SQUIBB CO (US) 2008-05-21 EP disclosed
EP-1559710-A2 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV, process for their preparation and their use Bristol-Myers Squibb Company (US) 2005-08-03 EP disclosed
US-6395767-B2 ANTIDIABETIC AGENTS; SAXAGLIPTIN BRISTOL-MYERS SQUIBB COMPANY 2002-05-28 US disclosed
US-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method ASTRAZENECA AB (SE) 2002-02-14 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-20020019411-A1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method DPP4, DPP3, DPP7 ALDH1A1 1033/4885L3MBTL1 2140/4885GLA 1872/4885

“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.