SCHEMBL7188690

SCHEMBL7188690

COc1cccc(C2CCC(C)C(C)(CN)C2(O)c2ccc(Cl)c(C(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
OPRM1 P35372 7/20 0.38
OPRD1 P41143 4/20 0.38
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
OPRK1 P41145 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
HTR1D P28221 1/20 0.38
HTR7 P34969 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL5169692 0.78 GRIN2B (0.38) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL7188687 0.75 GRIN2B (0.40) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL4374265 0.72 SLC6A2 (0.46) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL4664156 0.64 GRIN2B (0.40) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL5169688 0.64 GRIN2B (0.39) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL4663525 0.62 OPRK1 (0.49) OPRM1OPRD1OPRK1SLC6A2SLC6A4
SCHEMBL29573736 0.61 MAPT (0.52) SLC6A3LMNAGAAMAPTRAB9A
SCHEMBL1043138 0.61 MAPT (0.52) SLC6A3LMNAGAAMAPTRAB9A
SCHEMBL5170874 0.61 OPRM1 (0.39) GRIN2BOPRM1OPRD1HTR2AHTR2C
SCHEMBL13698140 0.60 CCR2 (0.47) OPRM1OPRD1HTR2AHTR2CHTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030216393-A1 Substituted 1-aminobutan-3-ol compounds GRUENENTHAL GMBH (DE) 2003-11-20 US claimed

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-20030216393-A1 Substituted 1-aminobutan-3-ol compounds CYP3A43, UGT1A3, UGT2B7 GRIN2B 963/4885OPRM1 118/4885OPRD1 103/4885

“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.