SCHEMBL3302736

SCHEMBL3302736

COC1CN(C(=O)O)CCc2sccc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HHAT Q5VTY9 5/20 0.44
LHCGR P22888 5/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD1 P21728 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL2992670 0.84 BRD4 (0.43) HHATNPSR1LMNA
SCHEMBL2992673 0.84 BRD4 (0.43) HHATNPSR1LMNA
SCHEMBL3307502 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL4751946 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL3307496 0.80 HHAT (0.45) HHATLHCGRKMT2AMAPK1NPSR1
SCHEMBL4751245 0.78 DRD2 (0.40) HHATLHCGRPOLBKMT2AMAPK1
SCHEMBL3304815 0.78 DRD2 (0.40) HHATLHCGRPOLBKMT2AMAPK1
SCHEMBL4431768 0.74 HHAT (0.38) HHATLHCGRPOLBMAPK1NPSR1
SCHEMBL17869460 0.72 NPC1 (0.31) KMT2A
SCHEMBL7584752 0.71 DRD3 (0.40) HHATKMT2ALMNA

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 3 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
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
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 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 HHAT 4647/4885LHCGR 1349/4885POLB 1082/4885

“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.