SCHEMBL3303645

SCHEMBL3303645

CC1c2sccc2CCN1C

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
DRD2 P14416 3/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
DRD5 P21918 2/20 0.41
DRD3 P35462 2/20 0.41
TAAR1 Q96RJ0 6/20 0.39
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL3303648 1.00 MAOA (0.42) MAOADRD2DRD1DRD4DRD5
SCHEMBL3314475 0.76 DRD2 (0.47) MAOADRD2DRD1DRD4DRD5
SCHEMBL28449155 0.75 KMT2A (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3311778 0.74 KCNN2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22044650 0.72 KMT2A (0.51) MAOADRD2DRD1DRD4DRD5
SCHEMBL8021988 0.72 KMT2A (0.51) MAOADRD2DRD1DRD4DRD5
SCHEMBL6643136 0.72 DRD2 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL13770917 0.68
SCHEMBL4752619 0.68 DRD2 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL3308280 0.68 MAOA (0.44) MAOADRD2DRD3

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
WO-2008135526-A1 CARBOXYLIC ACID AMIDES AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-13 WO disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 US 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 MAOA 856/4885DRD2 60/4885DRD1 21/4885

“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.