SCHEMBL4668738

SCHEMBL4668738

CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
SLC6A2 P23975 2/20 0.39
CNR2 P34972 1/20 0.36
OPRM1 P35372 8/20 0.35
OPRL1 P41146 8/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
SLC6A4 P31645 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32
PDK2 Q15119 1/20 0.32
NR3C1 P04150 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL12484267 0.78 NPSR1 (0.43) OPRM1OPRL1LMNAMEN1MAPT
SCHEMBL5244036 0.78 NPSR1 (0.43) OPRM1OPRL1LMNAMEN1MAPT
SCHEMBL27997618 0.76 CYP2A6 (0.38) RAB9ALMNAKDM4ENPC1
SCHEMBL12786240 0.74 OPRM1 (0.32) OPRM1OPRL1LMNAMEN1ALDH1A1
SCHEMBL12786374 0.74 OPRM1 (0.32) OPRM1OPRL1LMNAMEN1ALDH1A1
SCHEMBL25261882 0.68 CPB1 (0.34) RAB9AKDM4EMEN1NPC1ALDH1A1
SCHEMBL3457775 0.66 HSD11B1 (0.42) LMNAALDH1A1SMN1; SMN2
SCHEMBL27800095 0.66 CHRM2 (0.50) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL337275 0.65 CCR2 (0.36) SLC6A2MEN1MAPTKMT2ANPSR1
SCHEMBL26947589 0.65 SLC6A4 (0.51) 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 4 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
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 US disclosed
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.