SCHEMBL4887404

SCHEMBL4887404

O=C(O)C[C@H](Cc1ccc(O)cc1)NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
CPA1 P15085 2/20 0.46
CPB1 P15086 1/20 0.46
CPA3 P15088 1/20 0.46
CPB2 Q96IY4 1/20 0.46
OPRM1 P35372 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
SIGMAR1 Q99720 2/20 0.44

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
SCHEMBL4886772 1.00 OPRD1 (0.47) OPRD1OPRK1TRPV1CPA1CPB1
SCHEMBL4886780 1.00 OPRD1 (0.47) OPRD1OPRK1TRPV1CPA1CPB1
SCHEMBL4883084 0.92 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4883092 0.92 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4889079 0.92 CPA1 (0.53) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4878562 0.87 DPP7 (0.56) CPA1CPB1CPA3CPB2
SCHEMBL4887308 0.87 MME (0.54) CPA1CPB1CPA3CPB2
SCHEMBL4889418 0.87 CPA1 (0.45) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4888634 0.87 CPA1 (0.45) CPA1CPB1CPA3CPB2SIGMAR1
SCHEMBL4877339 0.87 DPP7 (0.56) CPA1CPB1CPA3CPB2

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 1069/4885TRPV1 3605/4885

“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.