SCHEMBL3310259

SCHEMBL3310259

COC1CN(C)CCc2sc(C(=O)O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
DAO P14920 2/20 0.37
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 3/20 0.33
SLC6A3 Q01959 3/20 0.33
TBXAS1 P24557 2/20 0.32
KDM4E B2RXH2 4/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
GLA P06280 1/20 0.32
ADORA1 P30542 1/20 0.32
RAD52 P43351 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPK1 P28482 2/20 0.30
THPO P40225 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL4752664 1.00 ALDH1A1 (0.37) ALDH1A1DAOSLC6A2SLC6A4SLC6A3
SCHEMBL3307455 0.91 HPGD (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL4749337 0.86 ALDH1A1 (0.36) ALDH1A1DAOTBXAS1KDM4EMAPT
SCHEMBL4751673 0.82 ALDH1A1 (0.40) ALDH1A1DAOTBXAS1KDM4EMAPT
SCHEMBL4435809 0.82 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL4748908 0.79 DRD1 (0.33) SLC6A2SLC6A4SLC6A3KDM4ECYP3A4
SCHEMBL3308477 0.79 DRD1 (0.33) SLC6A2SLC6A4SLC6A3KDM4ECYP3A4
SCHEMBL4748891 0.79 KDM4E (0.37) ALDH1A1DAOTBXAS1KDM4EMAPT
SCHEMBL4748892 0.79 KDM4E (0.37) ALDH1A1DAOTBXAS1KDM4EMAPT
SCHEMBL4431719 0.79 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309542-B2 Substituted pyrrolidine amides, the production thereof, and the use thereof as medications BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-13 US disclosed
EP-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
US-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 US disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 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-20100099664-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS DDC, GLS, UROD ALDH1A1 562/4885DAO 150/4885SLC6A2 216/4885

“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.