SCHEMBL10282909

SCHEMBL10282909

CCOC(=O)CCC1(c2ccncc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.44
TACR1 P25103 1/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
GPR119 Q8TDV5 6/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
NAMPT P43490 5/20 0.40
CYP2C9 P11712 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11919549 0.89 TACR1 (0.53) CCR5TACR1GPR119OPRD1OPRK1
SCHEMBL702191 0.88 NAMPT (0.46) CCR5TACR1GPR119OPRD1OPRK1
SCHEMBL10246218 0.83 OPRM1 (0.45) OPRD1OPRK1
SCHEMBL10282907 0.82 CCR5 (0.50) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL3592235 0.82 TACR1 (0.48) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL14272924 0.82 CCR5 (0.47) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL700357 0.82 CCR5 (0.55) CCR5TACR1OPRD1OPRK1
SCHEMBL703588 0.82 TACR1 (0.46) CCR5TACR1GPR119OPRD1ALDH1A1
SCHEMBL3322074 0.81 TACR1 (0.47) CCR5TACR1PDE4APDE4BPDE4C
SCHEMBL700207 0.80 TACR1 (0.54) CCR5TACR1MEN1ALDH1A1KMT2A

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 3 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
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 1218/4885TACR1 18/4885PDE4A 1827/4885

“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.