SCHEMBL5956791

SCHEMBL5956791

COC(=O)c1ccc2c(c1)CCCC2N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.46
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 2/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
Hydrochloric Acid SCHEMBL355728 0.99 ACHE (0.45) ACHECHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL803471 0.91 CHRNB2 (0.47) ACHECHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL4047281 0.91 CHRNB2 (0.47) ACHECHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL30809688 0.91 CHRNB2 (0.47) ACHECHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL1271484 0.91 CHRNB2 (0.47) ACHECHRNB2CHRNA4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2818950 0.90 CHRNB2 (0.46) ACHECHRNB2CHRNA4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31186907 0.90 CHRNB2 (0.46) ACHECHRNB2CHRNA4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2816177 0.90 CHRNB2 (0.46) ACHECHRNB2CHRNA4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL2816176 0.90 CHRNB2 (0.46) ACHECHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL803704 0.89 ACHE (0.55) ACHEALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104245663-B Bicyclic compounds 东亚荣养株式会社 2016-10-26 CN disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20110028463-A1 AMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2011-02-03 US disclosed
EP-2172447-A1 AMIDE COMPOUND Astellas Pharma Inc. (JP) 2010-04-07 EP disclosed
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 EP 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 (4 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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ACHE 1868/4885CHRNB2 3350/4885CHRNA4 4346/4885
US-20110028463-A1 AMIDE COMPOUNDS PTGER4, PTGER1, PTGER2 ACHE 4202/4885CHRNB2 3809/4885CHRNA4 1440/4885
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 ACHE 3488/4885CHRNB2 1972/4885CHRNA4 2816/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 ACHE 1462/4885CHRNB2 2107/4885CHRNA4 3008/4885

“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.