SCHEMBL5525010

SCHEMBL5525010

O=C(NCC1CCC(COc2ccccc2)CC1)c1cn[nH]c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.48
NPC1L1 Q9UHC9 1/20 0.47
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 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
SCHEMBL5525008 1.00 ACACB (0.48) ACACBNPC1L1ROCK2ROCK1
SCHEMBL5527711 0.88 NPC1L1 (0.47) NPC1L1ROCK2ROCK1
SCHEMBL5525077 0.88 ACACB (0.48) ACACB
SCHEMBL5527710 0.88 NPC1L1 (0.47) NPC1L1ROCK2ROCK1
SCHEMBL5525081 0.88 ACACB (0.48) ACACB
SCHEMBL5524976 0.87 NPC1L1 (0.47) ACACBNPC1L1ROCK2ROCK1
SCHEMBL5524980 0.87 NPC1L1 (0.47) ACACBNPC1L1ROCK2ROCK1
SCHEMBL5521777 0.87 ROCK2 (0.52) ACACBROCK2ROCK1
SCHEMBL14451323 0.87 AR (0.47) ACACBROCK2ROCK1
SCHEMBL5518723 0.87 AR (0.47) ACACBROCK2ROCK1

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 claimed
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 ACACB 1086/4885NPC1L1 2558/4885ROCK2 4012/4885

“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.