SCHEMBL1029067

SCHEMBL1029067

N[C@@H](C=O)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.52
ERAP1 Q9NZ08 2/20 0.52
ERAP2 Q6P179 2/20 0.52
ACE P12821 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
CYP2A6 P11509 1/20 0.43
HTR2A P28223 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
ACP3 P15309 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41

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
SCHEMBL8007380 1.00 ANPEP (0.52) ANPEPERAP1ERAP2ACESMN1; SMN2
SCHEMBL3391050 1.00 ANPEP (0.52) ANPEPERAP1ERAP2ACESMN1; SMN2
SCHEMBL8896138 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL13629461 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL8895432 0.88 GRIK1 (0.50) ANPEPERAP1ERAP2HTR2AGRIK1
SCHEMBL27527666 0.86 S1PR2 (0.50) ANPEPERAP1ERAP2GRIK1
SCHEMBL16234919 0.80 TAAR1 (0.47) TAAR1HTT
SCHEMBL28898297 0.80 ANPEP (0.33) ANPEPERAP1ERAP2ACE
SCHEMBL10068447 0.80 ESR1 (0.48) ANPEPERAP1ERAP2TAAR1ALDH1A1
SCHEMBL7266310 0.78 ACE (0.47) ANPEPERAP1ERAP2ACESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306053-A1 Highly selective rho-kinase inhibitor D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2009-12-10 US claimed
EP-1878732-B1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR WESTERN THERAPEUTICS INST INC (JP) 2009-02-25 EP claimed
EP-1878732-A1 HIGHLY SELECTIVE Rho-KINASE INHIBITOR D. Western Therapeutics Institute (JP) 2008-01-16 EP claimed
EP-1232183-B1 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LAB (US) 2006-01-18 EP claimed
US-6777535-B1 USEFUL FOR TREATING CONDITIONS WHICH ARISE OR ARE EXACERBATED BY ANGIOGENESIS ABBOTT LABORATORIES 2004-08-17 US claimed
US-6753408-B1 DRUGS USED FOR THERAPY ABBVIE INC. 2004-06-22 US claimed
EP-1242455-A1 N-ALKYLATED PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY Abbott Laboratories (US) 2002-09-25 EP claimed
EP-1232183-A2 PEPTIDES HAVING ANTIANGIOGENIC ACTIVITY ABBOTT LABORATORIES (US) 2002-08-21 EP claimed
US-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups ZIMMERMAN MARY P (US) 2002-05-30 US claimed
US-6297277-B1 PEPTIDYL KETONES HAVING HETEROCYCLIC LEAVING GROUPS; CATHEPSIN INHIBITORS PROTOTEK, INC. 2001-10-02 US claimed
US-5434248-A Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme MERCK & CO., INC. (US) 1995-07-18 US claimed
US-5430128-A Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme MERCK & CO., INC. (US) 1995-07-04 US claimed
WO-1995015749-A1 CYSTEINE PROTEASE INHIBITORS CONTAINING HETEROCYCLIC LEAVING GROUPS PROTOTEK, INC. (US) 1995-06-15 WO claimed
WO-1993016710-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME MERCK & CO., INC. (US) 1993-09-02 WO claimed
WO-1993014777-A1 PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME MERCK & CO., INC. (US) 1993-08-05 WO claimed
EP-0547699-A1 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO. INC. (US) 1993-06-23 EP claimed
EP-0519748-A2 Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme MERCK & CO. INC. (US) 1992-12-23 EP claimed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
WO-1988005049-A1 NOVEL COMPOUNDS Aktiebolaget Hässle (SE) 1988-07-14 WO claimed
EP-0273893-A2 Novel compounds Aktiebolaget Hässle (SE) 1988-07-06 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090306053-A1 Highly selective rho-kinase inhibitor ROCK1, ROCK2, RHOT2 ANPEP 2321/4885ERAP1 1810/4885ERAP2 2398/4885
US-20020065264-A1 Cysteine protease inhibitors containing heterocyclic leaving groups HPN, PREP, SPINT2 ANPEP 29/4885ERAP1 61/4885ERAP2 115/4885

“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.