SCHEMBL4569154

SCHEMBL4569154

O=C1c2ccccc2C(=O)N1CCC#Cc1cccc(OCC2CCCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
RAB9A P51151 3/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
PDK2 Q15119 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL4569035 0.89 ALDH1A1 (0.44) CHRNB4CHRNA3MAOAMAOBTLR4
SCHEMBL25824900 0.85 MAOA (0.40) CHRNB4CHRNA3MAOAMAOBTLR4
SCHEMBL23115173 0.84 CHRNB4 (0.45) CHRNB4CHRNA3MAOAMAOBTLR4
SCHEMBL4569044 0.81 RAB9A (0.60) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL2207552 0.81 RAB9A (0.60) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL2208993 0.81 RAB9A (0.60) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL8903855 0.80 MAOA (0.46) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL2207764 0.80 RAB9A (0.61) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL2206902 0.80 RAB9A (0.46) MAOAMAOBRAB9AKMT2ATDP1
SCHEMBL2754759 0.79 CYP1A2 (0.39) CHRNB4CHRNA3RAB9AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-10639286-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2020-05-05 US disclosed
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2019-06-20 US disclosed
US-10188615-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2019-01-29 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
EP-3210966-A1 ALKOXYPHENYLPROPYLAMINES FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION Acucela, Inc. (US) 2017-08-30 EP disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 US disclosed
US-7982071-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2011-07-19 US disclosed
US-20090326074-A1 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2009-12-31 US disclosed
WO-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 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 (11 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-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CHRNB4 955/4885CHRNA3 1500/4885MAOA 443/4885
US-20190183816-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-10188615-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885
US-10639286-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CHRNB4 926/4885CHRNA3 1465/4885MAOA 421/4885

“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.