SCHEMBL5521777

SCHEMBL5521777

COc1cccc(OC[C@H]2CC[C@@H](CNC(=O)c3cn[nH]c3)CC2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.52
ROCK1 Q13464 5/20 0.52
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
PTGIR P43119 1/20 0.44
ACACB O00763 1/20 0.44
CNR2 P34972 1/20 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
SCHEMBL14451328 1.00 ROCK2 (0.52) ROCK2ROCK1HPGDLMNAPTGIR
SCHEMBL5521781 1.00 ROCK2 (0.52) ROCK2ROCK1HPGDLMNAPTGIR
SCHEMBL5518717 0.88 AR (0.47) ROCK2ROCK1ACACB
SCHEMBL14451323 0.88 AR (0.47) ROCK2ROCK1ACACB
SCHEMBL5518723 0.88 AR (0.47) ROCK2ROCK1ACACB
SCHEMBL5525008 0.87 ACACB (0.48) ROCK2ROCK1ACACB
SCHEMBL5525010 0.87 ACACB (0.48) ROCK2ROCK1ACACB
SCHEMBL5722212 0.86 HPGD (0.47) ROCK2ROCK1HPGDLMNA
SCHEMBL8284597 0.84 HPGD (0.56) HPGDLMNAPTGIR
SCHEMBL5524760 0.81 PTGIR (0.53) LMNAPTGIRACACB

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-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A ROCK2 4012/4885ROCK1 3844/4885HPGD 604/4885

“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.