SCHEMBL13675157

SCHEMBL13675157

CCCN(CC(C)(C)C)c1ccc(OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
AOC3 Q16853 2/20 0.38
CNR1 P21554 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL13673209 0.87 CA1 (0.46) CNR2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL3945201 0.85 CA12 (0.48) CNR2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL14608249 0.82 ALDH1A1 (0.50) CNR2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL20871181 0.81 CNR2 (0.50) CNR2ALDH1A1MAPTAOC3CNR1
SCHEMBL20871882 0.81 PYCR1 (0.47) CNR2ALDH1A1MAPTSMN1; SMN2CNR1
SCHEMBL13675156 0.79 ALDH1A1 (0.40) CNR2ALDH1A1MAPTGAAMAPK1
SCHEMBL22340486 0.77 HRH3 (0.49) ALDH1A1MAPK1DRD2DRD3AOC3
SCHEMBL13725776 0.76 GSK3B (0.50) ALDH1A1MAPTSMN1; SMN2GAAMAPK1
SCHEMBL22340907 0.76 CNR2 (0.55) CNR2ALDH1A1MAPTCNR1
SCHEMBL20871176 0.76 CNR2 (0.55) CNR2ALDH1A1MAPTCNR1

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 CNR2 295/4885ALDH1A1 6/4885MAPT 801/4885

“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.