SCHEMBL4569045

SCHEMBL4569045

Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
KMT2A Q03164 5/20 1.00
TDP1 Q9NUW8 2/20 1.00
HPGD P15428 3/20 0.73
NPSR1 Q6W5P4 1/20 0.73
ALDH1A1 P00352 7/20 0.70
L3MBTL1 Q9Y468 2/20 0.69
MAPT P10636 5/20 0.66
LMNA P02545 5/20 0.66
MEN1 O00255 4/20 0.66
RCE1 Q9Y256 1/20 0.66
TSHR P16473 2/20 0.64
MAPK1 P28482 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 3/20 0.58
AGTR1 P30556 1/20 0.56
CHRM5 P08912 1/20 0.56

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
Dimethylamine SCHEMBL9872629 0.89 KMT2A (0.80) RAB9AKMT2ATDP1HPGDNPSR1
Dimethylamine SCHEMBL9871932 0.88 RAB9A (0.78) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL4569116 0.85 RAB9A (0.74) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL18074274 0.84 HPGD (1.00) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL2210883 0.84 RAB9A (0.72) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL2204905 0.83 RAB9A (0.71) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL2205237 0.83 RAB9A (0.71) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL2208243 0.83 RAB9A (0.71) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL1578469 0.82 RAB9A (0.83) RAB9AKMT2ATDP1HPGDNPSR1
SCHEMBL2207750 0.82 RAB9A (0.70) RAB9AKMT2ATDP1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 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-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

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 RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER RAB9A 2120/4885KMT2A 3103/4885TDP1 499/4885

“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.