SCHEMBL4668053

SCHEMBL4668053

CC1(C)[C@H]2CC[C@](C)(C2)[C@]1(O)c1ccccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SLC6A2 P23975 2/20 0.42
NR3C1 P04150 1/20 0.36
OPRM1 P35372 4/20 0.35
OPRL1 P41146 4/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CXCR3 P49682 1/20 0.34
SLC6A4 P31645 1/20 0.34
CNR2 P34972 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
HSD11B1 P28845 4/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL15047582 0.86 CHRM2 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4443441 0.77 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4668723 0.77 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4669637 0.77 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4669632 0.77 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6360946 0.77 NR3C1 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8699245 0.70 CHRM2 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL13400155 0.69 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8153759 0.69 CXCR3 (0.42) CXCR3GRIN2BHSD11B1KDM4E
SCHEMBL4954546 0.68 CHRM2 (0.38) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455934-B1 METHOD FOR ISOMERIZING ALLYL ALCOHOLS BASF SE (DE) 2008-11-19 EP claimed
US-20050101807-A1 Method for isomerizing allyl alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 US claimed
EP-1455934-B1 METHOD FOR ISOMERIZING ALLYL ALCOHOLS BASF SE (DE) 2008-11-19 EP 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-20050101807-A1 Method for isomerizing allyl alcohols ADH1A, ADH1C, ADH5 CHRM2 71/4885CHRM4 498/4885CHRM5 331/4885

“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.