SCHEMBL21750403

SCHEMBL21750403

NCCC(O)c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.38
HTR2A P28223 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
SCHEMBL14764013 0.82 TRPA1 (0.32)
SCHEMBL158756 0.81 LMNA (0.36)
SCHEMBL3585938 0.79 ALDH1A1 (0.40)
SCHEMBL1145324 0.78 CSNK1E (0.41)
SCHEMBL7030565 0.78 ALOX5 (0.33)
SCHEMBL4070717 0.78 LMNA (0.31)
SCHEMBL3589049 0.77 CSNK1E (0.43)
SCHEMBL3582718 0.77 CSNK1E (0.43)
SCHEMBL3584428 0.77 CSNK1E (0.43)
SCHEMBL3587334 0.77 CSNK1E (0.43)

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 11 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-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 HRH1 1786/4885HTR2A 1598/4885
US-20200060996-A1 VISUAL CYCLE MODULATORS ALDH1A2, UACA, NR2E3 HRH1 1786/4885HTR2A 1598/4885
US-11253489-B2 Visual cycle modulators ALDH1A2, UACA, NR2E3 HRH1 1786/4885HTR2A 1598/4885

“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.