SCHEMBL4444921

SCHEMBL4444921

COC(C(=O)N1CCC(OCCN2CCCC2)(c2cccnc2)CC1)C1CCc2ccccc2N1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR7 P34969 1/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD11B1 P28845 1/20 0.33
CYP2D6 P10635 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
NPY1R P25929 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
HPGD P15428 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
MC4R P32245 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
CRBN Q96SW2 2/20 0.31

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
SCHEMBL4444561 0.99 CCR5 (0.34) CCR5MEN1KMT2AHTR7LMNA
SCHEMBL4441082 0.96 HTR7 (0.35) MEN1KMT2AHTR7LMNAALDH1A1
SCHEMBL4554297 0.96 CHRM1 (0.35) CCR5MEN1KMT2AHTR7LMNA
SCHEMBL4437206 0.95 HTR7 (0.35) MEN1KMT2AHTR7LMNAALDH1A1
SCHEMBL4553417 0.91 DRD3 (0.35) MEN1KMT2AHTR7LMNAALDH1A1
SCHEMBL707969 0.88 CCR5 (0.35) CCR5MEN1KMT2AHTR7LMNA
SCHEMBL707959 0.87 CCR5 (0.37) CCR5MEN1KMT2AHTR7LMNA
SCHEMBL3446634 0.79 MEN1 (0.34) CCR5MEN1KMT2ALMNAALDH1A1
SCHEMBL2333396 0.74 CHRNB2 (0.46) MEN1KMT2ALMNAALDH1A1CYP2D6
SCHEMBL4279426 0.74 OPRL1 (0.39)

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-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 CCR5 1354/4885MEN1 2417/4885KMT2A 2533/4885

“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.