SCHEMBL2763072

SCHEMBL2763072

[CH2]CCNN1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3182945 0.78 SNCA (0.41) SNCACA12CA2CA9CA1
SCHEMBL8535667 0.76 SNCA (0.40) SNCACA12CA2CA9CA1
SCHEMBL28883061 0.76 SNCA (0.40) SNCACA12CA2CA9CA1
SCHEMBL8694711 0.74 GNAI3 (0.50) SNCACA12CA2CA9CA1
SCHEMBL19503494 0.73 GNAI3 (0.58) SNCACA12CA2CA9GNAI3
SCHEMBL12821810 0.73 SNCA (0.38) SNCACA12CA2CA9CA1
SCHEMBL509603 0.72 CA12 (0.38) SNCACA12CA2CA9CA1
SCHEMBL1958727 0.71 KDM1A (0.40) CA12CA2CA9CA1
SCHEMBL6123168 0.71 GNAI3 (0.52) GNAI3GNAO1GNAI1
SCHEMBL19630043 0.70 CA12 (0.37) SNCACA12CA2CA9CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1420785-B1 SUBSTITUTED INDENO [1,2-C]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2010-04-28 EP disclosed
EP-2174659-A1 Substituted indeno[1,2-c]isoquinoline derivatives and uses thereof Inotek Pharmaceuticals Corporation (US) 2010-04-14 EP disclosed
EP-2033645-A1 Isoquinoline derivatives and methods of use thereof Inotek Pharmaceuticals Corporation (US) 2009-03-11 EP disclosed
EP-1603568-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2009-02-25 EP disclosed
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-10-23 US disclosed
US-7393955-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2008-07-01 US disclosed
EP-1722797-A4 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORP (US) 2008-03-19 EP disclosed
US-7268143-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-09-11 US disclosed
EP-1722797-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2006-11-22 EP disclosed
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence INOTEK PHARMACEUTICAL, CORP. (US) 2006-01-26 US disclosed
US-6956035-B2 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2005-10-18 US disclosed
US-20050228007-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-10-13 US disclosed
WO-2005082368-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-09-09 WO disclosed
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof JAGTAP PRAKASH (US) 2005-03-03 US disclosed
US-6828319-B2 Antiinflamamtory agents; strokes; cardiovascular disorders INOTEK PHARMACEUTICALS CORPORATION 2004-12-07 US disclosed
WO-2004078712-A2 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2004-09-16 WO disclosed
EP-1420785-A2 SUBSTITUTED INDENO 1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF Inotek Pharmaceuticals Corporation (US) 2004-05-26 EP disclosed
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2004-02-26 US disclosed
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2003-09-11 US disclosed
WO-2003020700-A2 SUBSTITUTED INDENO[1,2-c]ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2003-03-13 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 (6 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-20050228007-A1 Isoquinoline derivatives and methods of use thereof GLS, PINK1, PARK7 SNCA 62/4885CA12 4830/4885CA2 4167/4885
US-20080262016-A1 ISOQUINOLINE DERIVATIVES AND METHODS OF USE THEREOF CYP3A7, CYP3A5, ABCG2 SNCA 1360/4885CA12 4607/4885CA2 3914/4885
US-20030171392-A1 Substituted indeno[1,2-c]isoquinoline derivatives and methods of use thereof CYP1B1, UGT1A1, CYP4B1 SNCA 1022/4885CA12 4382/4885CA2 3670/4885
US-20060019980-A1 Methods for treating or preventing erectile dysfunction or urinary incontinence PDE3A, PDE3B, PDE5A SNCA 161/4885CA12 3290/4885CA2 2178/4885
US-20040039009-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SNCA 1360/4885CA12 4607/4885CA2 3914/4885
US-20050049270-A1 Isoquinoline derivatives and methods of use thereof CYP3A7, CYP3A5, ABCG2 SNCA 1360/4885CA12 4607/4885CA2 3914/4885

“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.