SCHEMBL234828

SCHEMBL234828

N#CCC(O)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2151149 0.85 SLC18A3 (0.32) SLC18A3SIGMAR1
SCHEMBL2151060 0.83 SLC18A3 (0.42) SLC18A3SIGMAR1IDO1TDO2CYP3A4
SCHEMBL11078403 0.81 IDO1 (0.40) IDO1TDO2CYP3A4CYP2D6SLC6A2
SCHEMBL2151108 0.80 HIF1A (0.54) CYP3A4SLC6A3LMNAALDH1A1
SCHEMBL2150979 0.80 CPN1 (0.44) IDO1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL17735447 0.80 HIF1A (0.54) CYP3A4SLC6A3LMNAALDH1A1
SCHEMBL29818916 0.80 HIF1A (0.54) CYP3A4SLC6A3LMNAALDH1A1
SCHEMBL16032729 0.80 CPN1 (0.44) IDO1CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL2754733 0.79 SLC18A3 (0.46) SLC18A3SIGMAR1IDO1TDO2CYP3A4
SCHEMBL2893002 0.79 SLC18A3 (0.46) SLC18A3SIGMAR1IDO1TDO2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2019-02-12 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 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-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-9421210-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-08-23 US disclosed
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA INC. (US) 2009-07-02 US 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
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
WO-2009005794-A2 ALKYNYL PHENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-01-08 WO disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 WO disclosed
WO-2008131368-A2 STYRENYL DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2008-10-30 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 (3 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-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C SLC18A3 3819/4885SIGMAR1 3659/4885IDO1 3704/4885
US-10201545-B2 Styrenyl derivative compounds for treating ophthalmic diseases and disorders ALDH1A2, STARD3, TXNRD2 SLC18A3 2705/4885SIGMAR1 4003/4885IDO1 3146/4885
US-20090170841-A1 Styrenyl Derivative Compounds for Treating Ophthalmic Diseases and Disorders ALDH1A2, STARD3, TXNRD2 SLC18A3 2705/4885SIGMAR1 4003/4885IDO1 3146/4885

“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.