SCHEMBL707959

SCHEMBL707959

COC(C(=O)N1CCC(CCCN2CCCC2)(c2cccnc2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.37
HTR7 P34969 6/20 0.34
HTR1A P08908 4/20 0.34
HTR2A P28223 4/20 0.34
DRD3 P35462 4/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2C P28335 2/20 0.33
DRD2 P14416 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DRD4 P21917 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
SCHEMBL707969 0.95 CCR5 (0.35) CCR5HTR7MEN1KMT2ALMNA
SCHEMBL3446634 0.89 MEN1 (0.34) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL4441082 0.88 HTR7 (0.35) HTR7HTR1AHTR2ADRD3MEN1
SCHEMBL4437206 0.88 HTR7 (0.35) HTR7HTR1AHTR2ADRD3MEN1
SCHEMBL4444921 0.87 CCR5 (0.34) CCR5HTR7MEN1KMT2ALMNA
SCHEMBL4444561 0.86 CCR5 (0.34) CCR5HTR7MEN1KMT2ALMNA
SCHEMBL4553417 0.84 DRD3 (0.35) HTR7HTR1AHTR2ADRD3MEN1
SCHEMBL4554297 0.82 CHRM1 (0.35) CCR5HTR7HTR1AHTR2ADRD3
SCHEMBL4279426 0.74 OPRL1 (0.39) HTR1AHTR2ADRD3
SCHEMBL4274132 0.74 MC4R (0.37) HTR1AHTR2ADRD3HTR2C

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-8124624-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-02-28 US disclosed
EP-2262791-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-22 EP disclosed
US-20090264407-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-22 US disclosed
WO-2009124734-A2 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-10-15 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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CCR5 1218/4885HTR7 522/4885HTR1A 247/4885

“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.