SCHEMBL4572149

SCHEMBL4572149

NC(=O)CCCOc1cccc(CCCNCl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
HPGD P15428 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KCNH2 Q12809 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
PLA2G2A P14555 1/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL11996518 0.87 CYP2D6 (0.48) CYP2D6MTNR1AMTNR1BHPGDTAAR1
SCHEMBL4572134 0.85 KDM4E (0.48) MTNR1AMTNR1BHPGD
SCHEMBL8902447 0.83 CYP4F2 (0.48) CYP2D6MTNR1AMTNR1BKCNH2
SCHEMBL2208586 0.83 PPARG (0.47) CYP2D6HPGDTAAR1CNR1CNR2
SCHEMBL29818702 0.83 PPARG (0.47) CYP2D6HPGDTAAR1CNR1CNR2
SCHEMBL4568866 0.82 PPARA (0.59) CYP2D6CNR1CNR2KCNH2PPARG
SCHEMBL10712379 0.80 PPARA (0.67) CYP2D6CNR1CNR2KCNH2PPARG
SCHEMBL4572151 0.80 CA1 (0.50) CYP2D6MTNR1AMTNR1BHPGD
SCHEMBL611960 0.80 CNR1 (0.50) CYP2D6TAAR1CNR1CNR2KCNH2
SCHEMBL13881832 0.79 L3MBTL1 (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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20090326074-A1 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER CYP2D6 3691/4885MTNR1A 89/4885MTNR1B 85/4885

“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.