SCHEMBL16144654

SCHEMBL16144654

CC(C)(C)OC(=O)N1CCCC2CNCC2C1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
CHRNB2 P17787 8/20 0.49
CHRNB4 P30926 8/20 0.49
CHRNA3 P32297 8/20 0.49
CHRNA4 P43681 8/20 0.49
HPGD P15428 1/20 0.48
NR1H2 P55055 1/20 0.46
PREP P48147 2/20 0.44
CHRNA7 P36544 6/20 0.43
EPHX1 P07099 1/20 0.43
USP30 Q70CQ3 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4516507 0.91 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL2239446 0.91 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL25154183 0.91 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4HPGD
SCHEMBL16053523 0.86 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NR1H2
SCHEMBL17112600 0.86 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NR1H2
SCHEMBL584860 0.86 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NR1H2
SCHEMBL14222418 0.86 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NR1H2
SCHEMBL649983 0.86 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4NR1H2
SCHEMBL26116742 0.85 GPR119 (0.48) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14497251 0.85 HPGD (0.45) MEN1ALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856264-B2 Isoquinolinesulfonyl derivative as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2018-01-02 US disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed
EP-3138843-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2017-03-08 EP disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 US disclosed
US-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-02-09 US disclosed
WO-2015165341-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR 南京明德新药研发股份有限公司 2015-11-05 WO disclosed
WO-2014160592-A2 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-02 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 (1 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-20170037050-A1 ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT MEN1 3330/4885ALDH1A1 3120/4885MAPT 1189/4885

“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.