SCHEMBL21750404

SCHEMBL21750404

NCCC(O)c1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.39
HTR3A P46098 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
HIF1A Q16665 1/20 0.39
APEX1 P27695 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HRH1 P35367 1/20 0.37
RIPK1 Q13546 1/20 0.34
AOC3 Q16853 3/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL19206601 0.82 TAAR1 (0.58) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL6274882 0.80 RIPK1 (0.35) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL22399245 0.78 LMNA (0.40) TAAR1HIF1ATDP1KDM4ERIPK1
SCHEMBL317303 0.78 LMNA (0.40) TAAR1HIF1ATDP1KDM4ERIPK1
SCHEMBL29191773 0.78 RIPK1 (0.34) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL16149774 0.77 HRH1 (0.39) HRH1
SCHEMBL3179795 0.77 HRH1 (0.62) TAAR1KDM4EHRH1RIPK1AOC3
SCHEMBL42066 0.77 HRH1 (0.62) TAAR1KDM4EHRH1RIPK1AOC3
SCHEMBL232834 0.77 HRH1 (0.62) TAAR1KDM4EHRH1RIPK1AOC3
SCHEMBL29191903 0.77 PTGER2 (0.36) RIPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103664637-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-03-26 CN claimed
CN-101784188-B Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-02-12 CN claimed
CN-101784188-A Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-07-21 CN claimed
US-20220175700-A1 VISUAL CYCLE MODULATORS UNIV CASE WESTERN RESERVE (US) 2022-06-09 US disclosed
US-11253489-B2 Visual cycle modulators CASE WESTERN RESERVE UNIVERSITY (US) 2022-02-22 US disclosed
US-20200060996-A1 VISUAL CYCLE MODULATORS THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERAN AFFAIRS 2020-02-27 US disclosed
CN-105541769-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2016-05-04 CN disclosed
CN-103664637-B Be used for the treatment of ophthalmic diseases and disorderly alkynyl phenyl derivative compounds ACUCELA INC. (US) 2016-02-03 CN disclosed
CN-103664637-A Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC 2014-03-26 CN disclosed
CN-101784188-B Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2014-02-12 CN disclosed
CN-101917980-B Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2013-12-11 CN disclosed
CN-101917980-A Amine derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-12-15 CN disclosed
CN-101784188-A Alkynyl phenyl derivative compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2010-07-21 CN 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-20220175700-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 TAAR1 2039/4885HTR3A 1391/4885TSHR 909/4885
US-20200060996-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 TAAR1 2039/4885HTR3A 1391/4885TSHR 909/4885
US-11253489-B2 Visual cycle modulators ALDH1A2, UACA, NR2E3 TAAR1 2039/4885HTR3A 1391/4885TSHR 909/4885

“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.