SCHEMBL5524980

SCHEMBL5524980

O=C(NCC1CCC(CCCOc2ccccc2)CC1)c1cn[nH]c1

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 1/20 0.47
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 1/20 0.43
ACACA Q13085 1/20 0.43

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
SCHEMBL5524976 1.00 NPC1L1 (0.47) NPC1L1ROCK2ROCK1NPC1HPGD
SCHEMBL5527711 0.94 NPC1L1 (0.47) NPC1L1ROCK2ROCK1NPC1HPGD
SCHEMBL5527710 0.94 NPC1L1 (0.47) NPC1L1ROCK2ROCK1NPC1HPGD
SCHEMBL5525008 0.87 ACACB (0.48) NPC1L1ROCK2ROCK1ACACB
SCHEMBL5525010 0.87 ACACB (0.48) NPC1L1ROCK2ROCK1ACACB
SCHEMBL4553284 0.82 ROCK2 (0.50) NPC1L1ROCK2ROCK1
SCHEMBL5530244 0.80 AR (0.46) NPC1L1ROCK2ROCK1RAB9A
SCHEMBL5530238 0.80 AR (0.46) NPC1L1ROCK2ROCK1RAB9A
SCHEMBL5532506 0.79 NPC1 (0.44) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL5532501 0.79 NPC1 (0.44) NPC1HPGDRAB9ASMN1; SMN2

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-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
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A NPC1L1 2558/4885ROCK2 4012/4885ROCK1 3844/4885

“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.