SCHEMBL5755544

SCHEMBL5755544

CC1(C)CCCC(O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.37
PRCP P42785 1/20 0.36
KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL6652087 0.91 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL14101425 0.77 PGR (0.44) GAASMN1; SMN2
SCHEMBL1508195 0.77 PGR (0.44) GAASMN1; SMN2
SCHEMBL18192162 0.75 HTR2A (0.43) OPRM1GAASMN1; SMN2PRCP
SCHEMBL5748613 0.73 PDE7A (0.33) TRPA1
SCHEMBL10603757 0.72 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL30337114 0.70 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL10192534 0.70 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL16543135 0.70 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1GAA
SCHEMBL24969376 0.70 PDK2 (0.41) OPRL1GAASMN1; SMN2TRPA1

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP OPRM1 2976/4885OPRD1 1598/4885OPRK1 2041/4885

“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.