SCHEMBL6090446

SCHEMBL6090446

CCC(O)(CC)c1ccc2[nH]ncc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.47
ROCK2 O75116 4/20 0.47
NOS1 P29475 3/20 0.47
METAP2 P50579 2/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
CSNK2A1 P68400 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPA1 O75762 3/20 0.46
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
GSK3B P49841 3/20 0.44
CDK5 Q00535 3/20 0.44

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
SCHEMBL11888515 0.83 NOS1 (0.51) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL13486198 0.83 NOS1 (0.47) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL26121286 0.83 ROCK1 (0.52) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL762038 0.79 IDH1 (0.55) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL20970352 0.78 NOS1 (0.49) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL23136093 0.76 METAP2 (0.54) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL376116 0.75 METAP2 (0.73) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL28783154 0.74 ROCK2 (0.50) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL31292455 0.74 ROCK2 (0.50) ROCK1ROCK2NOS1METAP2MEN1
SCHEMBL4432843 0.74 CTNNB1 (0.44) ROCK1ROCK2MEN1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors ELI LILLY AND COMPANY (US) 2006-10-19 US disclosed
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 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-20060235222-A1 Indole-derivative modulators of steroid hormone nuclear receptors NR3C2, NR5A1, MC2R ROCK1 2179/4885ROCK2 3087/4885NOS1 729/4885

“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.