SCHEMBL4753063

SCHEMBL4753063

C[C@@H](CO)N(C(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
RAB9A P51151 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL1424706 1.00 EPHX1 (0.35) EPHX1HTR2CSLC6A4GAATSHR
SCHEMBL4971663 0.98 EPHX1 (0.33) EPHX1HTR2CSLC6A4GAATSHR
SCHEMBL4971669 0.98 EPHX1 (0.33) EPHX1HTR2CSLC6A4GAATSHR
SCHEMBL1607958 0.85 EPHX1 (0.35) EPHX1HTR2CSLC6A4GAATSHR
SCHEMBL4972581 0.84 GAA (0.36) EPHX1GAATSHRCTSSCTSK
SCHEMBL4972576 0.84 GAA (0.36) EPHX1GAATSHRCTSSCTSK
SCHEMBL4971964 0.84 ASGR1 (0.30)
SCHEMBL4971967 0.84 ASGR1 (0.30)
SCHEMBL4971462 0.84 GAA (0.36) EPHX1GAATSHRCTSSCTSK
SCHEMBL4971467 0.84 GAA (0.36) EPHX1GAATSHRCTSSCTSK

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190038611-A1 Novel CYP34A-Specific Inhibitors and Methods of Using Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-02-07 US disclosed
WO-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed
US-5346887-A Mixture of tripeptide renin inhibitor and steroid antiinflammatory agent ABBOTT LABORATORIES (US) 1994-09-13 US disclosed
EP-0229667-B1 Peptidylaminodiols ABBOTT LAB (US) 1994-07-13 EP disclosed
US-5268374-A Containing both amide and hydroxy groups ABBOTT LABORATORIES (US) 1993-12-07 US disclosed
US-5214129-A Amidation of a protected amino acid by an di-O-protected dihydroxy-containing amine and coupling with a carboxylic acid; deprotecting; renin inhibitors; hypotensive agents ABBOTT LABORATORIES (US) 1993-05-25 US disclosed
EP-0437508-A4 NON-PEPTIDE RENIN INHIBITORS 1991-11-06 EP disclosed
US-5059589-A Glaucoma treatment ABBOTT LABORATORIES (US) 1991-10-22 US disclosed
US-5036051-A Renin inhibitors ABBOTT LABORATORIES (US) 1991-07-30 US disclosed
EP-0437508-A1 NON-PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1991-07-24 EP disclosed
US-4845079-A HYPOTENSIVE, RENIN INHIBITION ABBOTT LABORATORIES 1989-07-04 US disclosed
US-4837204-A RENIN INHIBITORS; HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-06-06 US disclosed
EP-0311012-A2 Glaucoma treatment ABBOTT LABORATORIES (US) 1989-04-12 EP disclosed
EP-0295294-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-12-21 EP disclosed
WO-1988005050-A1 PEPTIDYLAMINODIOLS ABBOTT LABORATORIES (US) 1988-07-14 WO disclosed
US-4725584-A Peptidyl-1-amino-2,4-diols ABBOTT LABORATORIES (US) 1988-02-16 US disclosed
US-4725583-A ANTIHYPERTENSIVE ABBOTT LABORATORIES (US) 1988-02-16 US disclosed
EP-0230266-A2 Functionalized peptidyl aminodiols and -triols ABBOTT LABORATORIES (US) 1987-07-29 EP disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 EP disclosed
EP-0189203-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1986-07-30 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-20190038611-A1 Novel CYP34A-Specific Inhibitors and Methods of Using Same CYP3A43, CYP3A4, CYP4B1 EPHX1 182/4885HTR2C 2024/4885SLC6A4 1579/4885

“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.