SCHEMBL3918934

SCHEMBL3918934

CCCCOC(=O)N1CCC2(CC1)NC(CCSC)C(=O)N2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.46
OPRK1 P41145 2/20 0.46
CCR5 P51681 9/20 0.43
CHRM4 P08173 4/20 0.42
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
OPRM1 P35372 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3918968 0.85 GAA (0.46) CCR5KMT2AGAAOPRM1LMNA
SCHEMBL3919263 0.85 OPRD1 (0.44) OPRD1OPRK1CCR5CHRM4KMT2A
SCHEMBL1800888 0.85 OPRD1 (0.44) OPRD1OPRK1CCR5CHRM4KMT2A
SCHEMBL3925963 0.82 GAA (0.47) CCR5KMT2AGAALMNA
SCHEMBL2935909 0.82 GAA (0.41) CCR5KMT2AGAASMN1; SMN2
SCHEMBL1799344 0.82 GAA (0.41) CCR5KMT2AGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1800382 0.81 GAA (0.41) CCR5KMT2AGAAMEN1
Hydrochloric Acid SCHEMBL1802741 0.81 GAA (0.41) CCR5KMT2AGAAMEN1
SCHEMBL4035139 0.81 GAA (0.43) CCR5KMT2AGAAOPRM1LMNA
SCHEMBL4037470 0.80 GAA (0.44) CCR5KMT2AGAALMNA

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-7560468-B2 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2009-07-14 US disclosed
US-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds GRUENENTHAL GMBH (DE) 2007-01-18 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-20070015783-A1 Substituted 1,4,8-triazaspiro[4,5]decan-2-one compounds THPO, UGT1A8, UGT1A4 OPRD1 403/4885OPRK1 428/4885CCR5 2852/4885

“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.