SCHEMBL2366436

SCHEMBL2366436

c1cc(C2CC2)ccc1OC1CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.63
SLC18A3 Q16572 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
IKBKB O14920 1/20 0.46
HTR2C P28335 4/20 0.46
HRH3 Q9Y5N1 2/20 0.44
ROCK1 Q13464 4/20 0.44
ROCK2 O75116 1/20 0.44
PRKACA P17612 1/20 0.44
PRKCD Q05655 1/20 0.44
PRKG1 Q13976 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
AAK1 Q2M2I8 1/20 0.44
CDC42BPA Q5VT25 1/20 0.44
Q6ZSR9 Q6ZSR9 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
CDC42BPB Q9Y5S2 1/20 0.44
KDM1A O60341 2/20 0.44
MAOA P21397 2/20 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
SCHEMBL18553711 0.96 HRH1 (0.63) HRH1SLC18A3SIGMAR1IKBKBHTR2C
SCHEMBL3038636 0.89 HRH1 (0.55) HRH1SLC18A3SIGMAR1IKBKBHTR2C
SCHEMBL15000364 0.89 HRH1 (0.55) HRH1SLC18A3SIGMAR1IKBKBHTR2C
SCHEMBL18553710 0.87 HRH1 (0.53) HRH1SLC18A3SIGMAR1IKBKBHTR2C
SCHEMBL18553724 0.84 HRH1 (0.50) HRH1SLC18A3SIGMAR1IKBKBHTR2C
SCHEMBL29277486 0.82 SLC6A2 (0.50) HRH1
SCHEMBL2019376 0.82 HRH1 (0.70) HRH1IKBKBHRH3ROCK1ROCK2
SCHEMBL16839485 0.80 PARP10 (0.46) HRH3
SCHEMBL6121373 0.80 HRH1 (0.68) HRH1IKBKBHRH3ROCK1ROCK2
SCHEMBL25176717 0.80 CHRNB2 (0.51) HRH1SLC18A3SIGMAR1ROCK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 US disclosed
EP-2364975-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2013-06-12 EP disclosed
EP-2565182-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2013-03-06 EP disclosed
US-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-02-14 US disclosed
US-8354401-B2 Oxazolidinone amide aromatic compounds for supressing MMP-9 production MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-15 US disclosed
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-27 US disclosed
EP-2364975-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2011-09-14 EP 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 (2 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-20130040930-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HRH1 1144/4885SLC18A3 4261/4885SIGMAR1 3899/4885
US-20110263571-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP2 HRH1 941/4885SLC18A3 4106/4885SIGMAR1 4049/4885

“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.