SCHEMBL4299141

SCHEMBL4299141

COc1cc(C)c(S(=O)(=O)N2c3ccccc3OCC2COCC(=O)N2CCC(OCCN3CCCC3)(c3cccnc3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
BDKRB1 P46663 14/20 0.36
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL4299654 0.93 NPC1 (0.40) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL3441596 0.90 BDKRB1 (0.40) BDKRB1DRD2DRD3
SCHEMBL3441594 0.90 BDKRB1 (0.40) BDKRB1DRD2DRD3
SCHEMBL4302525 0.90 NPC1 (0.39) NPC1BDKRB1ALDH1A1LMNA
SCHEMBL702190 0.89 NPC1 (0.37) NPC1BDKRB1DRD2DRD3ALDH1A1
SCHEMBL3441720 0.85 BDKRB1 (0.40) BDKRB1DRD2DRD3ALDH1A1
SCHEMBL3441702 0.85 BDKRB1 (0.40) BDKRB1DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL3441652 0.85 BDKRB1 (0.40) BDKRB1DRD2DRD3ALDH1A1
SCHEMBL3441794 0.85 BDKRB1 (0.40) BDKRB1DRD2DRD3ALDH1A1
SCHEMBL3441734 0.85 BDKRB1 (0.40) BDKRB1DRD2DRD3ALDH1A1

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-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US claimed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US claimed
US-8318769-B2 Substituted sulfonamide compounds GRUENETHAL GMBH (DE) 2012-11-27 US disclosed
US-20090264400-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 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-20090264400-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, TRPV1 NPC1 2705/4885BDKRB1 1/4885DRD2 2728/4885

“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.