SCHEMBL3893679

SCHEMBL3893679

CN1CCN(CCC(=O)c2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
ALDH1A1 P00352 5/20 0.73
GFER P55789 1/20 0.71
MAPT P10636 2/20 0.69
HTR1A P08908 7/20 0.64
SIGMAR1 Q99720 1/20 0.63
SLC6A4 P31645 1/20 0.62
SLC6A3 Q01959 1/20 0.62

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
Hydrochloric Acid SCHEMBL7932173 0.98 KMT2A (0.73) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL31093108 0.94 KMT2A (0.74) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL16026463 0.93 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL7934846 0.91 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549676 0.88 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549664 0.88 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL8344861 0.87 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL2725965 0.86 KMT2A (0.90) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL10507206 0.86 ALDH1A1 (0.96) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL7929082 0.85 THRA (0.60) KMT2AALDH1A1GFERMAPTHTR1A

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542687-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2005-06-22 EP claimed
WO-2004028538-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2004-04-08 WO claimed
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2004-04-08 US claimed
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes NATIONAL UNIVERSITY CORPORATION KUMAMOTO UNIVERSITY (JP) 2016-03-03 US disclosed
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PHARMACYCLICS INC (US) 2015-10-15 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-8937091-B2 Inhibitor of protein crosslinking and use of the same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2015-01-20 US disclosed
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-8524744-B2 preventing and/or treating the diseases related to the plaque-activating factors, especially in anti-inflammation and immunization, more especially in the treatment of the acute or chronic inflammation, such as, osteoarthritis, oarthritis deformans, etc. INSTITUTE OF MATARIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-09-03 US disclosed
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY 2012-11-01 US disclosed
EP-1901744-A2 PREPARATIONS COMPRISING ARYLAZINE SUBSTITUTED WITH A CARBONYLIC MOIETY TO INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2008-03-26 EP disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070049559-A1 Preparations comprising arylazine substituted with a carbonylic moiety to increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2007-03-01 US disclosed
WO-2007002781-A2 PREPARATIONS COMPRISING ARYLAZINE SUBSTITUTED WITH A CARBONYLIC MOIETY TO INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2007-01-04 WO disclosed
US-7071211-B2 Small organic molecules that increase the activity of gelatinase a in ocular cells BAUSCH & LOMB INC. (US) 2006-07-04 US disclosed
US-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells BAUSCH & LOMB INCORPORATED 2006-06-08 US disclosed
EP-1542687-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2005-06-22 EP disclosed
WO-2004028538-A1 SMALL ORGANIC MOLECULES THAT INCREASE THE ACTIVITY OF GELATINASE A IN OCULAR CELLS BAUSCH & LOMB INCORPORATED (US) 2004-04-08 WO disclosed
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells BAUSCH & LOMB INCORPORATED 2004-04-08 US 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 (8 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-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK KMT2A 1458/4885ALDH1A1 4370/4885GFER 4667/4885
US-20060121090-A1 Ocular compositions that increases the activity of gelatinase a in ocular cells MMP3, MMP13, MMP1 KMT2A 4410/4885ALDH1A1 1253/4885GFER 3284/4885
US-20040068017-A1 Small organic molecules that increase the activity of Gelatinase A in ocular cells MMP1, MMP3, MMP10 KMT2A 4221/4885ALDH1A1 789/4885GFER 2372/4885
US-20150290200-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885ALDH1A1 4370/4885GFER 4667/4885
US-20070049559-A1 Preparations comprising arylazine substituted with a carbonylic moiety to increase the activity of Gelatinase A in ocular cells MMP1, MMP17, MMP15 KMT2A 1982/4885ALDH1A1 333/4885GFER 1295/4885
US-20160060235-A1 Therapeutic Agent for Type 2 Diabetes RNASE1, CDKL2, CDKL1 KMT2A 903/4885ALDH1A1 3775/4885GFER 4671/4885
US-20120277423-A1 PROTEIN CROSSLINKING INHIBITOR AND USE OF THE SAME ARGLU1, F12, CDKL1 KMT2A 2055/4885ALDH1A1 2990/4885GFER 406/4885
US-20140080833-A1 INTRACELLULAR KINASE INHIBITORS PI4KB, BTK, LTK KMT2A 1458/4885ALDH1A1 4370/4885GFER 4667/4885

“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.