SCHEMBL2439293

SCHEMBL2439293

CCCN(CCC)CC[C]=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 1/20 0.35
CA1 P00915 2/20 0.33
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DRD3 P35462 2/20 0.31
CA14 Q9ULX7 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL7673852 0.87 CA12 (0.38) CA12CA9CA1DRD3HTR1A
SCHEMBL4901118 0.83 CA12 (0.32) CA12CA2CA9CA1DRD3
SCHEMBL1033692 0.82
SCHEMBL7672922 0.81 DRD2 (0.33) CA12CA2CA9DRD3DRD2
SCHEMBL4906955 0.78
SCHEMBL5358 0.77 HRH3 (0.41) CA12CA2CA9CA1POLB
SCHEMBL21224483 0.77 HRH3 (0.41) CA12CA2CA9CA1POLB
SCHEMBL2729745 0.77 HRH3 (0.41) CA12CA2CA9CA1POLB
SCHEMBL7677795 0.76 CA12 (0.38) CA12CA9CA1DRD3HTR1A
SCHEMBL9085851 0.75 CA12 (0.38) CA12CA2CA9CA1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP claimed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 WO claimed
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
US-8017612-B2 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2011-09-13 US disclosed
EP-2009004-A1 NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2008-12-31 EP disclosed
US-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors JAPAN TOBACCO INC. (JP) 2008-04-03 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
EP-1070714-A9 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2005-10-19 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 US disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1070714-A1 AMIDINE COMPOUNDS JAPAN TOBACCO INC. (JP) 2001-01-24 EP disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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 (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-20080081818-A1 therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors HAVCR2, AADAC, DNPEP CA12 2962/4885CA2 920/4885CA9 3458/4885
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 CA12 3003/4885CA2 1379/4885CA9 2363/4885
US-20040006099-A1 Amidine compounds F2, SERPINC1, F12 CA12 2168/4885CA2 1535/4885CA9 1044/4885
US-20120107273-A1 NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR POLR1C, POLR2E, POLR2H CA12 4105/4885CA2 3400/4885CA9 4387/4885

“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.