SCHEMBL4091462

SCHEMBL4091462

CN(C)C(c1ccc(Cl)cc1)C1CC[14C](=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 1/20 0.44
SLC6A4 P31645 7/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 6/20 0.32
SLC6A3 Q01959 6/20 0.32
AOC3 Q16853 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM1 P11229 1/20 0.31
DRD3 P35462 1/20 0.31
BRD4 O60885 1/20 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
SCHEMBL1326713 0.81 BCL2A1 (0.46) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL1327427 0.81 BCL2A1 (0.43) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL3582113 0.80 BCL2A1 (0.45) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL493597 0.80 BCL2A1 (0.46) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL493536 0.79 BCL2A1 (0.45) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL644438 0.78 BCL2A1 (0.47) BCL2A1GAAHPGDSMN1; SMN2AOC3
SCHEMBL493077 0.78 BCL2A1 (0.44) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL1326749 0.77 BCL2A1 (0.43) BCL2A1SLC6A4GAAHPGDSMN1; SMN2
SCHEMBL493821 0.77 BCL2A1 (0.40) BCL2A1SLC6A4SLC6A2SLC6A3AOC3
SCHEMBL493769 0.75 BCL2A1 (0.39) BCL2A1SLC6A4SLC6A2SLC6A3AOC3

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-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 BCL2A1 3829/4885SLC6A4 1057/4885GAA 1591/4885

“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.