SCHEMBL3308477

SCHEMBL3308477

COC1CN(C)CCc2sc(Br)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 7/20 0.33
DRD5 P21918 4/20 0.33
CYP2D6 P10635 2/20 0.32
CYP3A4 P08684 1/20 0.32
DRD2 P14416 2/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADCY2 Q08462 1/20 0.31
LMNA P02545 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR1B P28222 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
MAPK1 P28482 1/20 0.30
SLC6A4 P31645 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
SCHEMBL4748908 1.00 DRD1 (0.33) DRD1DRD5CYP2D6CYP3A4DRD2
SCHEMBL4752668 0.84 NPC1 (0.32)
SCHEMBL4748999 0.80 DRD1 (0.35) DRD1DRD5CYP2D6DRD2CYP1A2
SCHEMBL4752664 0.79 ALDH1A1 (0.37) DRD1CYP2D6CYP3A4HSD17B10SLC6A2
SCHEMBL3310259 0.79 ALDH1A1 (0.37) DRD1CYP2D6CYP3A4HSD17B10SLC6A2
SCHEMBL3307455 0.78 HPGD (0.40) CYP1A2HSD17B10LMNASLC6A2MAPK1
SCHEMBL4751943 0.78 DRD1 (0.34) DRD1DRD5CYP2D6CYP3A4DRD2
SCHEMBL4435809 0.77 SLC6A2 (0.32) CYP2D6CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL4431719 0.76 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL3002089 0.75 POLB (0.40) CYP2C19HSD17B10LMNAMAPK1KDM4E

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 DRD1 21/4885DRD5 149/4885CYP2D6 73/4885

“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.