SCHEMBL7992156

SCHEMBL7992156

N=CC1(c2ccc(F)cc2)CCC2(CC1)OCCO2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SLC6A3 Q01959 3/20 0.32
SLC6A4 P31645 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KMT2A Q03164 2/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11920697 0.83 NPC1 (0.38) NPC1RAB9ASLC6A3SLC6A4HDAC3
SCHEMBL11920867 0.77 JAK2 (0.32) NPC1RAB9A
SCHEMBL8004121 0.74 MAOB (0.37) NPC1RAB9ASLC6A3SLC6A4MAOB
SCHEMBL13074449 0.74 LMNA (0.38) NPC1RAB9ASLC6A3SLC6A4KMT2A
SCHEMBL612754 0.74 OPRM1 (0.43) NPC1RAB9ASLC6A3SLC6A4SMN1; SMN2
SCHEMBL1558026 0.71 NPC1 (0.30) NPC1RAB9A
SCHEMBL1558024 0.71 NPC1 (0.30) NPC1RAB9A
SCHEMBL16591402 0.71 HSD11B1 (0.35) SLC6A3SLC6A4MAOBMAOA
SCHEMBL4287030 0.70 JAK2 (0.35) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL1558011 0.70 ALDH1A1 (0.38) NPC1RAB9ALMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303846-B1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI SA (FR) 2015-04-29 EP disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
US-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2011-08-04 US disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 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-20110190341-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS ROCK1, MYLK, ROCK2 NPC1 2691/4885RAB9A 607/4885SLC6A3 3200/4885

“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.