SCHEMBL6360946

SCHEMBL6360946

CC1(C)[C@@H]2CCC1(C)[C@](O)(c1ccccn1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.43
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 0.39
KDM4E B2RXH2 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SLC6A1 P30531 1/20 0.36
SLC6A12 P48065 1/20 0.36
SLC6A11 P48066 1/20 0.36
SLC6A4 P31645 1/20 0.36
OPRM1 P35372 2/20 0.35
OPRL1 P41146 2/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
CXCR3 P49682 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL4669632 1.00 NR3C1 (0.43) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4443441 1.00 NR3C1 (0.43) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4669637 1.00 NR3C1 (0.43) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4668723 1.00 NR3C1 (0.43) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL3416558 0.77 SLC6A1 (0.49) NR3C1PLA2G1BATG4BSLC6A1SLC6A12
SCHEMBL4443505 0.77 SLC6A1 (0.49) NR3C1PLA2G1BATG4BSLC6A1SLC6A12
SCHEMBL7604766 0.77 SLC6A1 (0.49) NR3C1PLA2G1BATG4BSLC6A1SLC6A12
SCHEMBL4668053 0.77 CHRM2 (0.43) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL29587387 0.73 CHRM2 (0.42) NR3C1CHRM2CHRM4CHRM5CHRM1
SCHEMBL9302114 0.70 SLC6A3 (0.41) SLC6A2KDM4EPLA2G1BATG4BSLC6A1

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-20050101807-A1 Method for isomerizing allyl alcohols BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 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-20050101807-A1 Method for isomerizing allyl alcohols ADH1A, ADH1C, ADH5 NR3C1 236/4885CHRM2 71/4885CHRM4 498/4885

“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.