SCHEMBL4520686

SCHEMBL4520686

CC(=O)N1CCc2cc(-c3ccnc(N)n3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.56
CYP11B2 P19099 9/20 0.56
SYK P43405 2/20 0.52
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
NOTUM Q6P988 5/20 0.51
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 1/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51

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
SCHEMBL4528719 0.81 NPC1 (0.49) CYP11B1CYP11B2SYKPDK1PDK2
SCHEMBL4530255 0.81 NPC1 (0.49) CYP11B1CYP11B2SYKPDK1PDK2
SCHEMBL4525189 0.81 EIF2AK3 (0.47) CYP11B1CYP11B2PDK1PDK2PDK3
SCHEMBL4530584 0.81 EIF2AK3 (0.47) CYP11B1CYP11B2PDK1PDK2PDK3
SCHEMBL4533143 0.80 PDK1 (0.47) CYP11B1CYP11B2PDK1PDK2PDK3
SCHEMBL4662736 0.79 MAPT (0.46) CYP11B1CYP11B2PDK1PDK2PDK3
SCHEMBL4525367 0.76 NPC1 (0.45) CYP11B1CYP11B2SYKPDK1PDK2
SCHEMBL4524225 0.76 NPC1 (0.45) CYP11B1CYP11B2SYKPDK1PDK2
SCHEMBL4533562 0.76 CYP11B2 (0.72) CYP11B1CYP11B2NOTUM
SCHEMBL9090056 0.76 CYP11B2 (0.58) CYP11B1CYP11B2SYKNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461306-B1 QUATERNARY AMMONIUM COMPOUNDS AND THEIR USE AS ANTIMUSCARINIC AGENTS PHARMACIA & UPJOHN CO LLC (US) 2008-12-24 EP claimed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA CYP11B1 971/4885CYP11B2 911/4885SYK 891/4885

“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.