SCHEMBL613586

SCHEMBL613586

CCC#CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.44
GAA P10253 2/20 0.40
CASP3 P42574 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RAB9A P51151 1/20 0.39
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
GLS O94925 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL900640 0.85 DRD3 (0.46) DRD3GAACASP3MAPTRECQL
SCHEMBL10871583 0.82 DRD3 (0.44) DRD3ALDH1A1CA12CA9
SCHEMBL8059312 0.80 DRD3 (0.39) DRD3GAACASP3MAPTRECQL
SCHEMBL5069988 0.80 NR1H2 (0.44) DRD3MAPTALDH1A1MEN1KMT2A
SCHEMBL5340450 0.80 POLB (0.46) DRD3GAACASP3MAPTRECQL
SCHEMBL7484938 0.80 DRD3 (0.41) DRD3GAACASP3MAPTRECQL
SCHEMBL2683476 0.80 CASP3 (0.42) DRD3GAACASP3ALDH1A1MEN1
SCHEMBL6302393 0.77 CASP3 (0.43) DRD3CASP3MAPTRECQLALDH1A1
SCHEMBL6357561 0.74 DRD3 (0.51) DRD3GAAALDH1A1CA12CA9
SCHEMBL29016393 0.72 DRD3 (0.39) DRD3MAPTALDH1A1RAB9ACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US disclosed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US disclosed
US-8450527-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2013-05-28 US disclosed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US disclosed
US-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
US-7582771-B2 Process for the synthesis of cPLA2 inhibitors WYETH (US) 2009-09-01 US disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
US-20050049296-A1 Process for the synthesis of cPLA2 inhibitors WYETH (US) 2005-03-03 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 (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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT DRD3 69/4885GAA 597/4885CASP3 847/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT DRD3 69/4885GAA 597/4885CASP3 847/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT DRD3 69/4885GAA 597/4885CASP3 847/4885
US-20050049296-A1 Process for the synthesis of cPLA2 inhibitors PLA2G12A, ACOX3, CPA2 DRD3 2371/4885GAA 2017/4885CASP3 1428/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT DRD3 69/4885GAA 597/4885CASP3 847/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT DRD3 69/4885GAA 597/4885CASP3 847/4885

“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.