SCHEMBL707969

SCHEMBL707969

COC(C(=O)N1CCC(CCN2CCCC2)(c2cccnc2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.35
HRH1 P35367 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
NPY1R P25929 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 1/20 0.33
MC4R P32245 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
HTR7 P34969 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.32
HSD11B1 P28845 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
SCHEMBL707959 0.95 CCR5 (0.37) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL4444921 0.88 CCR5 (0.34) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL4444561 0.87 CCR5 (0.34) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL3446634 0.87 MEN1 (0.34) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL4441082 0.87 HTR7 (0.35) MEN1KMT2ALMNAALDH1A1NPY1R
SCHEMBL4437206 0.86 HTR7 (0.35) MEN1KMT2ALMNAALDH1A1SLC6A4
SCHEMBL4554297 0.84 CHRM1 (0.35) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL4553417 0.82 DRD3 (0.35) MEN1KMT2ALMNAALDH1A1NPY1R
SCHEMBL4279426 0.75 OPRL1 (0.39)
SCHEMBL4274132 0.75 MC4R (0.37) NPY1RSLC6A4KCNH2MC4R

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 2 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
US-20090264407-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-20090264407-A1 Substituted Sulfonamide Compounds CNR1, SUCNR1, OPRL1 CCR5 1218/4885HRH1 186/4885MEN1 3536/4885

“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.