SCHEMBL4857979

SCHEMBL4857979

COC(=O)CC(Cc1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRM1 P35372 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
MAOB P27338 1/20 0.45
ABCB1 P08183 1/20 0.44
MIF P14174 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL4856050 0.93 SIGMAR1 (0.49) TRPM8MAOBABCB1SIGMAR1ATM
SCHEMBL4857650 0.88 DPP7 (0.52) TRPM8SIGMAR1
SCHEMBL4852973 0.88 SIGMAR1 (0.42) TRPM8MAOBABCB1SIGMAR1ATM
SCHEMBL4854203 0.88 CA12 (0.51) TRPM8MAOBSIGMAR1
SCHEMBL4858501 0.88 NPC1 (0.52) MAOBATM
SCHEMBL4887404 0.86 OPRD1 (0.47) OPRD1OPRK1OPRM1SIGMAR1TRPV1
SCHEMBL4886780 0.86 OPRD1 (0.47) OPRD1OPRK1OPRM1SIGMAR1TRPV1
SCHEMBL4886772 0.86 OPRD1 (0.47) OPRD1OPRK1OPRM1SIGMAR1TRPV1
SCHEMBL4408805 0.85 MEN1 (0.48) TRPM8ABCB1SIGMAR1ATM
SCHEMBL1824286 0.83 MAOB (0.43) TRPM8MAOB

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-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 OPRD1 400/4885OPRK1 1069/4885OPRM1 739/4885

“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.