SCHEMBL613095

SCHEMBL613095

Cc1cc(CCCN)cc(CCC2(O)CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL10235845 0.87 HTT (0.41) OPRM1OPRL1KMT2A
SCHEMBL13862380 0.84 KMT2A (0.32) KMT2ATAAR1
SCHEMBL610832 0.84 MAPK14 (0.40) OPRM1OPRL1TAAR1
SCHEMBL611797 0.84 MAPK14 (0.40) OPRM1OPRL1TAAR1
SCHEMBL611370 0.84 MAPK14 (0.40) OPRM1OPRL1TAAR1
SCHEMBL611371 0.82 MAPK14 (0.41) OPRM1OPRL1TAAR1
SCHEMBL10237773 0.79 OPRM1 (0.38) OPRM1OPRL1KMT2A
SCHEMBL613731 0.78
SCHEMBL613732 0.78
SCHEMBL18097918 0.76 OPRM1 (0.43) OPRM1OPRL1TAAR1

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 32 patents — showing the first 20. 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-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
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-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-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 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-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US disclosed
US-20120041039-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-8076516-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. (US) 2011-12-13 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
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 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
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 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-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT OPRM1 2075/4885OPRL1 1009/4885KMT2A 1037/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT OPRM1 2075/4885OPRL1 1009/4885KMT2A 1037/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT OPRM1 2075/4885OPRL1 1009/4885KMT2A 1037/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT OPRM1 2075/4885OPRL1 1009/4885KMT2A 1037/4885

“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.