SCHEMBL3548899

SCHEMBL3548899

O=C1NCCC(C(=O)O)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAD P27708 2/20 0.47
CYP2D6 P10635 2/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
TSHR P16473 2/20 0.37
PMP22 Q01453 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.35
MME P08473 6/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL13439697 1.00 CAD (0.47) CADCYP2D6LMNABLMTSHR
SCHEMBL29953785 1.00 CAD (0.47) CADCYP2D6LMNABLMTSHR
SCHEMBL5852589 0.88 CAD (0.41) CADCYP2D6LMNABLMTSHR
SCHEMBL4459100 0.83 CAD (0.39) CADCYP2D6LMNABLMTSHR
SCHEMBL10077812 0.81 CAD (0.34) CAD
SCHEMBL873651 0.77
SCHEMBL6603156 0.77
SCHEMBL6602740 0.77
SCHEMBL15057980 0.77 CYP2D6 (0.36) CADCYP2D6LMNABLMTSHR
Lithium SCHEMBL29627538 0.76 CAD (0.44) CADCYP2D6LMNABLMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060586-A Ureins derived from alpha, omega-diamono acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2000-05-09 US claimed
EP-0629612-B1 Process for the preparation of ureas derived from alpha, omega-diaminoacids SOLVAY (BE) 1999-12-01 EP claimed
EP-0260057-A2 2-Oxo-4-carboxy-pyrimidines THE UNIVERSITY OF MELBOURNE (AU) 1988-03-16 EP claimed
US-7705008-B2 Prostaglandin analogs ALLERGAN, INC. (US) 2010-04-27 US disclosed
US-20090069309-A1 PROSTAGLANDIN ANALOGS ALLERGAN, INC. (US) 2009-03-12 US disclosed
US-7427614-B2 Prostaglandin analogs ALLERGAN, INC. (US) 2008-09-23 US disclosed
US-20060276461-A1 Prostaglandin analogs ALLERGAN, INC. 2006-12-07 US disclosed
US-7030214-B2 Ureins derived from α, ω, diamino acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2006-04-18 US disclosed
US-6727366-B2 SUCH AS (4S)-N(((1R)-1-((3AS),4S,6S,7AR)-HEXAHYDRO-3A,5,5-TRIMETHYL-4,6-METHANO1 -1,3,2-BENZODIOXABOROL-2-YL)PROPYL)-3,5-(((2S)-3-METHYL-2-((PHENYLACETYL -AMINO)-BUTANOYL)-2-OXO-1-(3-P HENYLPROPYL)-4-IMIDAZOLIDINECARBOXAMIDE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-04-27 US disclosed
US-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-05-29 US disclosed
WO-2002048157-A2 IMIDAZOLIDINONES AND THEIR RELATED DERIVATIVES AS HEPATITIS C VIRUS NS3 PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-06-20 WO disclosed
US-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation CALLENS ROLAND (BE) 2002-05-16 US disclosed
US-6310178-B1 AS THE N-TERMINAL RESIDUE OF BIOLOGICALLY ACTIVE PEPTIDES, E.G, THYROTROPIN RELEASING HORMONE (BY REPLACING THE N-TERMINAL PYROGLUTAMYL GROUP); IMPARTING INCREASED RESISTANCE TO PROTEOLYTIC DIGESTION SOLVAY, S.A. (BE) 2001-10-30 US disclosed
US-6060586-A Ureins derived from alpha, omega-diamono acids and process for their preparation SOLVAY (SOCIETE ANONYME) (BE) 2000-05-09 US disclosed
EP-0629612-B1 Process for the preparation of ureas derived from alpha, omega-diaminoacids SOLVAY (BE) 1999-12-01 EP disclosed
EP-0922696-A2 Urea derivatives of alpha, omega-diaminoacids and peptides SOLVAY (Société Anonyme) (BE) 1999-06-16 EP disclosed
EP-0922696-A2 Urea derivatives of alpha, omega-diaminoacids and peptides SOLVAY (Société Anonyme) (BE) 1999-06-16 EP disclosed
EP-0629612-A1 Ureas derived from alpha, omega-diaminoacids and process for their preparation SOLVAY (Société Anonyme) (BE) 1994-12-21 EP disclosed
EP-0260057-A2 2-Oxo-4-carboxy-pyrimidines THE UNIVERSITY OF MELBOURNE (AU) 1988-03-16 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 (4 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-20030100768-A1 Imidazolidinones and their related derivatives as hepatitis C virus NS3 protease inhibitors PRSS1, SPINT2, SERPINB1 CAD 3294/4885CYP2D6 654/4885LMNA 2518/4885
US-20020058784-A1 Ureins derived from alpha, omega, -diamond acids and process for their preparation UPP1, URB2, UFM1 CAD 926/4885CYP2D6 3471/4885LMNA 37/4885
US-20090069309-A1 PROSTAGLANDIN ANALOGS PTGES, PTGIS, PTGER1 CAD 4214/4885CYP2D6 382/4885LMNA 1499/4885
US-20060276461-A1 Prostaglandin analogs PTGES, PTGIS, PTGER1 CAD 4214/4885CYP2D6 382/4885LMNA 1499/4885

“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.