SCHEMBL10070397

SCHEMBL10070397

CN1CCN(C2CCc3nc(NC(=O)c4cccc(OCC(=O)Nc5ccc(N)cc5)c4)sc3C2)CC1

nearest known ligand 0.85

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.85
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL10070393 0.95 ROCK2 (0.85) ROCK2NPC1CYP1A2CYP2D6HPGD
SCHEMBL10311094 0.92 ROCK2 (1.00) ROCK2KDM4E
SCHEMBL10069830 0.91 ROCK2 (0.85) ROCK2
SCHEMBL10311093 0.87 ROCK2 (1.00) ROCK2KDM4E
SCHEMBL10070035 0.86 ROCK2 (0.84) ROCK2MAPT
SCHEMBL10070026 0.86 ROCK2 (0.83) ROCK2NPC1CYP1A2CYP2D6HPGD
SCHEMBL10070034 0.85 ROCK2 (0.83) ROCK2
SCHEMBL10311051 0.84 ROCK2 (1.00) ROCK2
SCHEMBL10070375 0.82 ROCK2 (0.66) ROCK2MAPT
SCHEMBL10070402 0.81 ROCK2 (0.85) ROCK2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ROCK2 2/4885NPC1 548/4885CYP1A2 1253/4885

“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.