SCHEMBL493826

SCHEMBL493826

COc1cc(C)c(S(=O)(=O)N(CCOCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)Cc2ccccc2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 4/20 0.39
AVPR1B P47901 5/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AVPR1A P37288 6/20 0.38
F2 P00734 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL493586 0.95 AVPR1B (0.38) CXCR3AVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL492872 0.92 AVPR1B (0.40) AVPR1BAVPR1AF2
SCHEMBL493271 0.91 CXCR3 (0.44) CXCR3
SCHEMBL493441 0.89 AVPR1A (0.40) CXCR3AVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493019 0.86 CXCR3 (0.46) CXCR3LMNA
SCHEMBL493275 0.86 AVPR1A (0.40) CXCR3AVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493722 0.86 AVPR1B (0.37) CXCR3AVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493247 0.85 AVPR1A (0.37) CXCR3AVPR1BALDH1A1LMNASMN1; SMN2
SCHEMBL493250 0.85 EPHX2 (0.42) AVPR1BALDH1A1SMN1; SMN2AVPR1A
SCHEMBL493574 0.83 AVPR1B (0.43) AVPR1BAVPR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD CXCR3 4458/4885AVPR1B 780/4885ALDH1A1 1349/4885

“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.