SCHEMBL2076149

SCHEMBL2076149

O=C(O)C(Cc1ccccc1)NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
LMNA P02545 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MME P08473 4/20 0.51
MMP2 P08253 4/20 0.51
MMP9 P14780 3/20 0.51
ADAMTS4 O75173 1/20 0.51
KMT2A Q03164 1/20 0.51
ACE P12821 4/20 0.50
CPA1 P15085 3/20 0.50
ACE2 Q9BYF1 3/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49

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
SCHEMBL2076151 1.00 POLB (0.55) POLBLMNATDP1MMEMMP2
SCHEMBL12678083 0.93 MME (0.54) POLBLMNATDP1MMEMMP2
SCHEMBL7258036 0.93 MME (0.54) POLBLMNATDP1MMEMMP2
SCHEMBL10933319 0.93 MME (0.54) POLBLMNATDP1MMEMMP2
SCHEMBL7257313 0.93 MME (0.54) POLBLMNATDP1MMEMMP2
SCHEMBL29069408 0.92 EPHX2 (0.56) POLBLMNATDP1MMEACE
SCHEMBL6439790 0.92 EPHX2 (0.56) POLBLMNATDP1MMEACE
SCHEMBL6439794 0.92 EPHX2 (0.56) POLBLMNATDP1MMEACE
SCHEMBL10934246 0.87 FOLH1 (0.51) MMEKMT2AACECPA1ACE2
SCHEMBL10934250 0.87 FOLH1 (0.51) MMEKMT2AACECPA1ACE2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP claimed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 WO claimed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 WO disclosed
EP-0135429-B1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1992-03-18 EP disclosed
US-4954158-A INHIBIT ETHYLENE PRODUCTION IN PLANTS UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1990-09-04 US disclosed
WO-1990007260-A2 2,3-METHANOPROLINE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1990-07-12 WO disclosed
EP-0349570-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1990-01-10 EP disclosed
WO-1988007053-A1 RENIN INHIBITORS CONTAINING A CYCLOPROPYL AMINO ACID AND/OR A CYCLOALKYL TRANSITION-STATE ANALOGUE THE UPJOHN COMPANY (US) 1988-09-22 WO disclosed
US-4629784-A ENZYME INHIBITORS; HORMONES; STABILIZERS; THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1986-12-16 US disclosed
EP-0135429-A1 The synthesis of cyclopropane amino acids and peptides THE UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-03-27 EP disclosed
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 WO 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 (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-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R POLB 2456/4885LMNA 2051/4885TDP1 3725/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R POLB 2456/4885LMNA 2051/4885TDP1 3725/4885

“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.