SCHEMBL5401649

SCHEMBL5401649

CC(C)(C)OC(=O)N1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.55
ROCK2 O75116 2/20 0.53
CCR2 P41597 2/20 0.53
ROCK1 Q13464 2/20 0.53
GPR119 Q8TDV5 8/20 0.53
CHEK2 O96017 1/20 0.52
CHRM4 P08173 1/20 0.51
HRH3 Q9Y5N1 1/20 0.48
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5407903 0.88 PIK3CD (0.56) PIK3CDROCK2CCR2ROCK1GPR119
SCHEMBL5412169 0.85 CHEK2 (0.55) PIK3CDGPR119CHEK2
SCHEMBL2598533 0.85 PIK3CD (0.49) PIK3CDROCK2CCR2ROCK1GPR119
SCHEMBL2598532 0.85 PIK3CD (0.49) PIK3CDROCK2CCR2ROCK1GPR119
SCHEMBL5418828 0.85 ROCK2 (0.58) PIK3CDROCK2CCR2ROCK1CHEK2
SCHEMBL9952336 0.83 FASN (0.52) PIK3CDROCK2GPR119HTT
SCHEMBL1373240 0.82 HRH3 (0.61) PIK3CDGPR119CHEK2HRH3HTT
SCHEMBL7455853 0.82 GPR119 (0.59) GPR119CHEK2HRH3ALDH1A1
SCHEMBL2503394 0.81 GPR119 (0.54) GPR119CHEK2HRH3
SCHEMBL29862463 0.81 GPR119 (0.54) GPR119CHEK2HRH3

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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 (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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA PIK3CD 439/4885ROCK2 2/4885CCR2 2824/4885

“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.