SCHEMBL3588879

SCHEMBL3588879

CC(=O)OC1OCC[C@@H]1NC(=O)[C@@H](N)CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 12/20 0.47
CAPNS1 P04632 1/20 0.45
ARG1 P05089 3/20 0.37
CACNA1B Q00975 1/20 0.36
ARG2 P78540 2/20 0.33
SLC7A5 Q01650 1/20 0.33
LARS1 Q9P2J5 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
SCHEMBL3635784 0.87 CAPN1 (0.39) CAPN1CAPNS1ARG1CACNA1BARG2
SCHEMBL27428206 0.81 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL27428208 0.81 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL7515309 0.81 CAPN1 (0.57) CAPN1CAPNS1
SCHEMBL4622520 0.80 CAPN1 (0.51) CAPN1CAPNS1ARG1
Hydrochloric Acid SCHEMBL8808672 0.79 CAPN1 (0.50) CAPN1CAPNS1ARG1
Hydrochloric Acid SCHEMBL8808683 0.79 CAPN1 (0.50) CAPN1CAPNS1ARG1
SCHEMBL4801806 0.78 CAPN1 (0.46) CAPN1CAPNS1
SCHEMBL4623099 0.77 CAPN1 (0.45) CAPN1CAPNS1
SCHEMBL8812311 0.77 CAPN1 (0.51) CAPN1CAPNS1

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
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 US claimed
EP-1954288-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-08-13 EP claimed
WO-2007045761-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-04-26 WO claimed
US-8642591-B2 Composition containing amidine derivatives or carboxamide derivatives and steroids, as a medicament IPSEN PHARMA S.A.S. (FR) 2014-02-04 US disclosed
EP-1993555-B1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA (FR) 2012-10-17 EP disclosed
EP-1954288-B1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE IPSEN PHARMA (FR) 2012-08-01 EP disclosed
US-7659266-B2 Amidine derivatives and their applications as a medicament S.C.R.A.S. (FR) 2010-02-09 US disclosed
US-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT IPSEN PHARMA S.A.S. (FR) 2009-06-11 US disclosed
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2009-01-15 US disclosed
EP-1993555-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT Societe de Conseils de Recherches et d'Applications Scientifiques (S.C.R.A.S) SAS (FR) 2008-11-26 EP disclosed
EP-1954288-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-08-13 EP disclosed
WO-2007101937-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-09-13 WO disclosed
WO-2007045761-A1 AMIDINE DERIVATIVES AND THEIR USES AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2007-04-26 WO disclosed
EP-1701974-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-09-20 EP disclosed
WO-2005056551-A2 NOVEL 2-HYDROXYTETRAHYDROFURANE DERIVATIVES AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-06-23 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-20090149430-A1 COMPOSITION CONTAINING AMIDINE DERIVATIVES OR CARBOXAMIDE DERIVATIVES AND STEROIDS, AS A MEDICAMENT MC2R, CYP11B2, NR3C2 CAPN1 1976/4885CAPNS1 2160/4885ARG1 71/4885
US-20090018120-A1 AMIDINE DERIVATIVES AND THEIR APPLICATIONS AS A MEDICAMENT CAPN2, CAPN9, CAPN1 CAPN1 3/4885CAPNS1 4/4885ARG1 159/4885

“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.