SCHEMBL4878562

SCHEMBL4878562

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.56
MME P08473 3/20 0.54
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
PSMB8 P28062 1/20 0.46
PSMB5 P28074 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
FFAR2 O15552 1/20 0.46
MMEL1 Q495T6 1/20 0.45
CPA1 P15085 2/20 0.45
CPB1 P15086 1/20 0.45
CPA3 P15088 1/20 0.45
CPB2 Q96IY4 1/20 0.45
PPARG P37231 1/20 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
SCHEMBL4877339 1.00 DPP7 (0.56) DPP7MMEGABRB1GABRB2PSMB8
SCHEMBL4877352 1.00 DPP7 (0.56) DPP7MMEGABRB1GABRB2PSMB8
SCHEMBL4883092 0.91 CPA1 (0.53) MMECYP1A2CPA1CPB1CPA3
SCHEMBL4883084 0.91 CPA1 (0.53) MMECYP1A2CPA1CPB1CPA3
SCHEMBL4889079 0.91 CPA1 (0.53) MMECYP1A2CPA1CPB1CPA3
SCHEMBL4887404 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4886780 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4886772 0.87 OPRD1 (0.47) CPA1CPB1CPA3CPB2
SCHEMBL4857650 0.86 DPP7 (0.52) DPP7GABRB1GABRB2PSMB8PSMB5
SCHEMBL4888749 0.86 PLAAT3 (0.50) DPP7GABRB1GABRB2CYP1A2CYP2D6

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 DPP7 1169/4885MME 895/4885GABRB1 1871/4885

“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.