SCHEMBL4283829

SCHEMBL4283829

CN(C(=O)Cc1ccccc1)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.62
SIGMAR1 Q99720 1/20 0.60
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 1/20 0.56
ATM Q13315 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 1/20 0.54
EPHX2 P34913 1/20 0.51
USP2 O75604 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL13434079 0.92 CCR5 (0.63) CCR5SIGMAR1KCNH2
SCHEMBL14297341 0.86 NPC1 (0.55) CCR5SIGMAR1KCNH2ALDH1A1KMT2A
SCHEMBL2575803 0.84 MEN1 (0.51) CCR5SIGMAR1KCNH2KMT2A
SCHEMBL29116794 0.83 L3MBTL1 (0.57) CCR5SIGMAR1ALDH1A1L3MBTL1KMT2A
SCHEMBL12359048 0.83 CCR5 (0.69) CCR5SIGMAR1KCNH2KMT2A
SCHEMBL19444606 0.83 CCR5 (0.64) CCR5ALDH1A1L3MBTL1KMT2AEPHX2
SCHEMBL11626650 0.83 MAP4K4 (0.57) CCR5SIGMAR1ALDH1A1KMT2A
SCHEMBL11394433 0.82 SIGMAR1 (0.64) CCR5SIGMAR1ALDH1A1KMT2AEPHX2
SCHEMBL17896798 0.82 NPC1 (0.56) CCR5SIGMAR1KMT2A
SCHEMBL4278254 0.82 L3MBTL1 (0.60) SIGMAR1ALDH1A1ATML3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253669-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-10-08 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-20090253669-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CCR5 4090/4885SIGMAR1 1349/4885KCNH2 1264/4885

“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.