SCHEMBL13673152

SCHEMBL13673152

CC(C)(C)CN(Cc1ccccc1)CC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CNR2 P34972 1/20 0.47
AOC3 Q16853 1/20 0.46
CTSK P43235 1/20 0.43
KDM4E B2RXH2 1/20 0.43
RIPK1 Q13546 2/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A2 P23975 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MCHR1 Q99705 1/20 0.41
ADRA2B P18089 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
SCHEMBL29377889 0.95 TSHR (0.50) TSHRALDH1A1CNR2AOC3CTSK
SCHEMBL9283313 0.90 CNR2 (0.52) TSHRALDH1A1CNR2KDM4ERIPK1
SCHEMBL13900455 0.86 OPRK1 (0.51) TSHRALDH1A1AOC3SLC6A2TAAR1
SCHEMBL9281438 0.86 HRH3 (0.50) TSHRALDH1A1CNR2CTSKKDM4E
SCHEMBL13900464 0.85 MEN1 (0.53) TSHRALDH1A1CNR2KDM4EMAPK1
SCHEMBL25062252 0.83 MAPT (0.50) CNR2SLC6A2MEN1KMT2ASLC6A4
SCHEMBL9284639 0.82 OPRM1 (0.46) TSHRALDH1A1CNR2KDM4EOPRK1
SCHEMBL9281673 0.80 ALDH1A1 (0.54) TSHRALDH1A1AOC3KDM4ERIPK1
SCHEMBL2518042 0.78 ALDH1A1 (0.46) TSHRALDH1A1CNR2AOC3KDM4E
SCHEMBL10506662 0.78 SLC6A2 (0.54) TSHRALDH1A1CNR2AOC3KDM4E

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 4 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-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
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 TSHR 4202/4885ALDH1A1 6/4885CNR2 295/4885

“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.