SCHEMBL610372

SCHEMBL610372

NCCOc1cccc(CCCC2CCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.49
HTR1A P08908 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
NFE2L2 Q16236 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL611353 0.90 KCNH2 (0.56) KCNH2HTR1AHTR1DHTR1BNFE2L2
SCHEMBL16203055 0.90 KCNH2 (0.56) KCNH2HTR1AHTR1DHTR1BNFE2L2
SCHEMBL10235895 0.86 CNR1 (0.48) KCNH2ACACBACACACNR1CNR2
SCHEMBL610245 0.86 KCNH2 (0.59) KCNH2TAAR1
SCHEMBL13862495 0.83 ACACB (0.47) KCNH2HTR1DHTR1BACACBACACA
SCHEMBL13959277 0.83 EED (0.47) KCNH2HTR1AACACBACACAHRH3
SCHEMBL2207362 0.81 SLC2A1 (0.44) ACACBACACATAAR1
SCHEMBL21100026 0.81 SPHK2 (0.44) KCNH2HTR1AHTR1DHTR1BCNR1
SCHEMBL1002808 0.80 TLR4 (0.46)
SCHEMBL2204247 0.80 TLR4 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9056849-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-06-16 US claimed
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-30 US claimed
US-8716529-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-05-06 US claimed
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US claimed
US-20120041039-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2012-02-16 US claimed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US claimed
EP-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP claimed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO claimed
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-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 (5 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 KCNH2 1859/4885HTR1A 289/4885HTR1D 50/4885
US-20140323530-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KCNH2 1859/4885HTR1A 289/4885HTR1D 50/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KCNH2 1859/4885HTR1A 289/4885HTR1D 50/4885
US-20120041038-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT KCNH2 1859/4885HTR1A 289/4885HTR1D 50/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT KCNH2 1859/4885HTR1A 289/4885HTR1D 50/4885

“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.