SCHEMBL4525259

SCHEMBL4525259

NC(=O)[C@@H](Cc1ccccc1)N(c1ccc(Br)cc1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.39
CHRM3 P20309 6/20 0.39
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
EPHX1 P07099 2/20 0.35
TACR2 P21452 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP8 P22894 1/20 0.35
MMP2 P08253 2/20 0.34
MMP1 P03956 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
CCR1 P32246 2/20 0.34

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
SCHEMBL4530676 0.86 GPR142 (0.40)
SCHEMBL4525258 0.77 CHRM2 (0.49) CHRM2CHRM3KCNH2HRH3TACR2
SCHEMBL19953687 0.68 TRPM8 (0.39) MEN1NPC1RAB9AKMT2A
SCHEMBL4528518 0.68 CTSS (0.39) EPHX1MEN1NPC1RAB9AKMT2A
SCHEMBL15577640 0.65 POLB (0.43) EPHX1TACR2KMT2AMMP8
SCHEMBL21247440 0.65 EPHX1 (0.55) EPHX1
SCHEMBL9316042 0.65 EPHX1 (0.55) EPHX1
SCHEMBL21447175 0.64 EPHX1 (0.49) EPHX1MEN1KMT2A
SCHEMBL21447451 0.64 EPHX1 (0.49) EPHX1MEN1KMT2A
SCHEMBL3408229 0.64 MDM2 (0.39) MEN1NPC1RAB9AKMT2AMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CHRM2 2389/4885CHRM3 2380/4885KCNH2 4490/4885

“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.