SCHEMBL3300893

SCHEMBL3300893

COCC(=O)NCCc1ccsc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.56
MAPK1 P28482 1/20 0.48
LMNA P02545 2/20 0.46
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
OPRK1 P41145 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 1/20 0.44
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
PTBP1 P26599 1/20 0.41

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
SCHEMBL28121189 0.83 MTNR1A (0.50) OPRM1OPRD1OPRK1HPGDALDH1A1
SCHEMBL28121194 0.80 HPGD (0.59) OPRM1OPRD1OPRK1HPGDALDH1A1
SCHEMBL7516052 0.79 KDM4E (0.56) LMNAOPRM1OPRD1OPRK1TDP1
SCHEMBL28121192 0.79 HPGD (0.51) OPRM1OPRD1OPRK1HPGDALDH1A1
SCHEMBL6956890 0.78 SPR (0.70) SPRMAPK1LMNAPTPN1ALDH1A1
SCHEMBL3650795 0.77 OPRM1 (0.51) OPRM1OPRD1OPRK1HPGDALDH1A1
SCHEMBL28453156 0.77 OPRM1 (0.44) OPRM1OPRD1OPRK1TDP1HPGD
SCHEMBL392452 0.76 GLA (0.58) LMNAOPRM1OPRD1OPRK1HPGD
SCHEMBL9373709 0.76 TAAR1 (0.50) OPRM1OPRD1OPRK1TDP1HPGD
SCHEMBL7332349 0.75 OPRM1 (0.43) OPRM1OPRD1OPRK1TDP1HPGD

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
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

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 SPR 1753/4885MAPK1 2494/4885LMNA 3711/4885

“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.