SCHEMBL2285251

SCHEMBL2285251

COC(CN(C)C(=O)CNC1CCC(O)CC1)OC

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
METAP1 P53582 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL2286812 1.00 DPP4 (0.36) DPP4SMN1; SMN2METAP1EPHX2ALDH1A1
SCHEMBL1550843 1.00 DPP4 (0.36) DPP4SMN1; SMN2METAP1EPHX2ALDH1A1
SCHEMBL13493236 0.89 SMN1; SMN2 (0.35) SMN1; SMN2METAP1ALDH1A1LMNAHTT
SCHEMBL10034671 0.87 SMN1; SMN2 (0.46) DPP4SMN1; SMN2EPHX2ALDH1A1LMNA
SCHEMBL1358814 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL1358812 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2286807 0.72 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL1550841 0.72 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL23165799 0.71 EPHX2 (0.43) DPP4METAP1EPHX2
SCHEMBL23165798 0.71 EPHX2 (0.43) DPP4METAP1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263768-B2 Process for the stereoselective preparation of bicyclic heterocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20120116080-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF BICYCLIC HETEROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-7998949-B2 Bicyclic heterocycles, drugs containing said compounds, use thereof, and method for production thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-16 US disclosed
US-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-01-28 US disclosed
WO-2008095847-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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 (2 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-20100022505-A1 BICYCLIC HETEROCYCLES, DRUGS CONTAINING SAID COMPOUNDS, USE THEREOF, AND METHOD FOR PRODUCTION THEREOF RET, CYP11B2, CHUK DPP4 4208/4885SMN1; SMN2 4691/4885METAP1 4244/4885
US-20120116080-A1 PROCESS FOR THE STEREOSELECTIVE PREPARATION OF BICYCLIC HETEROCYCLES BPHL, CYP11B1, CYP11B2 DPP4 3542/4885SMN1; SMN2 4520/4885METAP1 2945/4885

“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.