SCHEMBL7518231

SCHEMBL7518231

CC(C)(C)OC(=O)NC12CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPFFR1 Q9GZQ6 6/20 0.48
NPFFR2 Q9Y5X5 6/20 0.48
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BCHE P06276 2/20 0.41
ACHE P22303 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
KCNA3 P22001 1/20 0.39
SIGMAR1 Q99720 2/20 0.39

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
SCHEMBL34473649 0.94 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL16032495 0.93 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL16032497 0.93 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL16032494 0.93 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL9185202 0.89 KMT2A (0.46) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
Ammonia Solution, Strong SCHEMBL9182347 0.88 KMT2A (0.45) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL5768492 0.87 NPFFR1 (0.48) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL2268507 0.87 NPFFR1 (0.48) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL4675629 0.85 KMT2A (0.47) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E
SCHEMBL34474659 0.84 KMT2A (0.44) NPFFR1NPFFR2KMT2AL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0812838-B1 PYRIDONECARBOXYLIC ACID DERIVATIVE SUBSTITUTED BY BICYCLIC AMINO GROUP, ESTER THEREOF, SALT THEREOF, AND BICYCLIC AMINE AS INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO (JP) 2002-05-02 EP disclosed
US-5990106-A ANTIBIOTICS; 3-AZABICYCLO(3.2.0)HEPT-3-YL GROUP JOINED AT GIVEN POSITION OF A PYRIDONECARBOXYLIC ACID RESIDUE, SUCH AS 7-(1-AMINO-3-AZABICYCLO(3.2.0)HEPT-3-YL)-1-CYCLOPROPYL-6,8-DIFLUORO-1,4 -DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-11-23 US disclosed
EP-0812838-A1 PYRIDONECARBOXYLIC ACID DERIVATIVE SUBSTITUTED BY BICYCLIC AMINO GROUP, ESTER THEREOF, SALT THEREOF, AND BICYCLIC AMINE AS INTERMEDIATE THEREFOR DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-12-17 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 (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 NPFFR1 3277/4885NPFFR2 2708/4885KMT2A 1298/4885

“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.