SCHEMBL6166695

SCHEMBL6166695

Cc1cc(CCCCN)nc(-n2c(C)ccc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 12/20 0.45
NOS1 P29475 10/20 0.43
NOS3 P29474 8/20 0.43
HRH1 P35367 1/20 0.35

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
SCHEMBL8329772 0.89 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL13040653 0.87 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL13040656 0.86 NOS2 (0.55) NOS2NOS1NOS3
SCHEMBL6164525 0.85 NOS2 (0.39) NOS2NOS1NOS3
SCHEMBL13040655 0.84 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL6167004 0.84 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL8330353 0.84 NOS2 (0.38) NOS2NOS1NOS3
SCHEMBL13040665 0.83 NOS2 (0.42) NOS2NOS1NOS3
SCHEMBL8330686 0.82 NOS1 (0.57) NOS2NOS1NOS3
SCHEMBL8330518 0.82 NOS2 (0.40) NOS2NOS1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095020-B1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2005-08-31 EP disclosed
US-6887891-B2 Derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2005-05-03 US disclosed
US-6762176-B1 INHIBITING NO-SYNTHASE ENZYMES PRODUCING NITROGEN MONOXIDE AND/OR TRAPPING REACTIVE FORMS OF OXYGEN; INHIBIT LIPIDIC PEROXIDATION SOCIETE DE CONSELLS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-13 US disclosed
US-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATION SCIENTIFIQUES (S.C.R.A.S) 2004-01-29 US disclosed
EP-1169316-B9 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-10-29 EP disclosed
US-6605637-B1 Nitrogen monoxide synthase inhibitors; such as n-(4-(((2-thienyl)(imino)methyl)amino)phenyl)-1,2-dithiolane-3-pentamide SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-08-12 US disclosed
EP-1169316-B1 NOVEL LIPOIC ACID DERIVATIVES, THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2003-03-05 EP disclosed
EP-1095020-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-05-02 EP disclosed
WO-2000002860-A1 2-AMINOPYRIDINE ERIVATIVES, THEIR USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-01-20 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 (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-20040019084-A1 New derivatives of lipoic acid, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, LPO NOS2 2/4885NOS1 1/4885NOS3 5/4885

“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.