SCHEMBL4525258

SCHEMBL4525258

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.49
CHRM3 P20309 7/20 0.49
OPRD1 P41143 2/20 0.46
KCNH2 Q12809 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
ALPI P09923 1/20 0.40
PKM P14618 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
DPP4 P27487 2/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
OPRM1 P35372 1/20 0.38
TACR2 P21452 1/20 0.37

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
SCHEMBL4530672 0.85 OPRD1 (0.43) OPRD1KCNH2HRH3ALPIPKM
SCHEMBL4525259 0.77 CHRM2 (0.39) CHRM2CHRM3KCNH2HRH3TACR2
SCHEMBL18174280 0.69 MITF (0.36) CHRM2CHRM3OPRD1OPRM1
SCHEMBL10184132 0.69 ALPI (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL4081808 0.68 CTSD (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8294303 0.67 F2 (0.52) OPRD1ALPIPKMPTGS1XIAP
SCHEMBL13898950 0.67 ALPI (0.51) OPRD1ALPIPKMPTGS1XIAP
Dl-Phenylalanine SCHEMBL28743119 0.66 SLC7A5 (0.73) CHRM2KCNH2ALPIPKMPTGS1
Phenylalanine SCHEMBL28743116 0.66 SLC7A5 (0.73) CHRM2KCNH2ALPIPKMPTGS1
SCHEMBL5992407 0.66 ALDH1A1 (0.73) CHRM2CHRM3OPRD1KCNH2OPRM1

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 2380/4885OPRD1 4161/4885

“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.