SCHEMBL2018032

SCHEMBL2018032

CN(CC(N)=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
ALDH1A1 P00352 5/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ALOX5 P09917 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
USP2 O75604 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 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
SCHEMBL8418672 0.98 DDB1 (0.46) DDB1CRBNALDH1A1HRH4HRH3
SCHEMBL8418673 0.98 DDB1 (0.46) DDB1CRBNALDH1A1HRH4HRH3
SCHEMBL2018812 0.91
SCHEMBL7805428 0.84 ALDH1A1 (0.42) ALDH1A1HRH4HRH3ADH1CADH1A
SCHEMBL3435014 0.84 DDB1 (0.41) DDB1CRBNALDH1A1KMT2AL3MBTL1
SCHEMBL13744502 0.83 DDB1 (0.42) DDB1CRBNALOX5
SCHEMBL2305763 0.82 PIK3CD (0.48) DDB1CRBNALDH1A1POLB
SCHEMBL3436142 0.82 DDB1 (0.45) DDB1CRBN
SCHEMBL27866405 0.80 KMT2A (0.37) DDB1CRBNALDH1A1HRH4HRH3
SCHEMBL12562619 0.80 KDM4E (0.44) DDB1CRBNALDH1A1POLBKMT2A

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
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 EP claimed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 EP claimed
WO-2018072602-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-26 WO disclosed
EP-2663312-B1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-10-11 EP disclosed
US-20160243102-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2016-08-25 US disclosed
US-20150297581-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2015-10-22 US disclosed
US-20140357652-A1 RHO KINASE INHIBITORS ALCON INC. (CH) 2014-12-04 US disclosed
US-8809326-B2 Isoquinolinone Rho kinase inhibitors AERIE PHARMACEUTICALS, INC. (US) 2014-08-19 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ALCON INC. (CH) 2008-07-03 US disclosed
EP-0714885-B1 Preparation process of aminoacetamide derivative EISAI CO LTD (JP) 1999-09-01 EP disclosed
EP-0714885-A2 Preparation process of aminoacetamide derivative EISAI CHEMICAL CO., LTD. (JP) 1996-06-05 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 (5 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-20160243102-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT DDB1 2760/4885CRBN 3833/4885ALDH1A1 4263/4885
US-20150297581-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT DDB1 2760/4885CRBN 3833/4885ALDH1A1 4263/4885
US-20140357652-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, CIT DDB1 2760/4885CRBN 3833/4885ALDH1A1 4263/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 DDB1 1580/4885CRBN 4144/4885ALDH1A1 58/4885
US-20080161297-A1 e.g. N-(7-Chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-dimethylamino-2-phenyl-acetamide; hypertension, atherosclerosis, restenosis, stroke, heart failure, coronary vasospasm, cerebral vasospasm, ischemia/reperfusion injury, pulmonary hypertension, angina, myocardial infarction, ROCK1, ROCK2, ARHGDIA DDB1 1792/4885CRBN 4299/4885ALDH1A1 2595/4885

“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.