SCHEMBL3307465

SCHEMBL3307465

CC1=NCCc2ccsc21

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.61
NOS3 P29474 2/20 0.61
NISCH Q9Y2I1 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
GRIN2B Q13224 5/20 0.38
MAOA P21397 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 2/20 0.36
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8057615 0.76 NOS2 (1.00) NOS2NOS3DRD2DRD3ADRA2A
SCHEMBL20645736 0.76 NOS2 (0.56) NOS2NOS3NISCHDRD2DRD3
SCHEMBL22978809 0.73 NOS2 (0.62) NOS2NOS3NISCHDRD2DRD3
SCHEMBL3307581 0.73 NOS2 (0.53) NOS2NOS3NISCHDRD2DRD3
SCHEMBL2980218 0.71 NOS3 (0.54) NOS2NOS3GRIN2BMAOAACHE
SCHEMBL15763737 0.70 NOS3 (0.52) NOS2NOS3DRD2DRD3HTR1A
SCHEMBL1870494 0.69 NOS2 (0.60) NOS2NOS3NISCHDRD2DRD3
SCHEMBL8172900 0.68 NOS3 (0.46) NOS2NOS3DRD2DRD3GRIN2B
SCHEMBL14498861 0.67 NOS3 (0.41) NOS2NOS3NISCHDRD2DRD3
SCHEMBL8200277 0.65 NOS3 (0.47) NOS2NOS3DRD2DRD3ACHE

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
CN-115916195-A Therapeutic agents and uses thereof 安科生命科学有限公司 2023-04-04 CN disclosed
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
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 NOS2 809/4885NOS3 1683/4885NISCH 1971/4885

“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.