SCHEMBL5409997

SCHEMBL5409997

CC(C)NC1CCC(Oc2ccc3[nH]ncc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.51
ROCK1 Q13464 8/20 0.51
CCR2 P41597 3/20 0.51
CHRM4 P08173 1/20 0.46
CYP3A4 P08684 1/20 0.43
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HIF1A Q16665 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IKBKB O14920 1/20 0.40

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
SCHEMBL5409993 1.00 ROCK2 (0.51) ROCK2ROCK1CCR2CHRM4CYP3A4
SCHEMBL5418718 0.87 ROCK2 (0.47) ROCK2ROCK1CCR2CHRM4CYP3A4
SCHEMBL5418721 0.87 ROCK2 (0.47) ROCK2ROCK1CCR2CHRM4CYP3A4
SCHEMBL5418725 0.87 ROCK2 (0.47) ROCK2ROCK1CCR2CHRM4CYP3A4
SCHEMBL26132172 0.85 ROCK2 (0.64) ROCK2ROCK1CCR2CHRM4AXL
SCHEMBL5404525 0.85 ROCK2 (0.53) ROCK2ROCK1CCR2CHRM4AXL
SCHEMBL5404520 0.85 ROCK2 (0.53) ROCK2ROCK1CCR2CHRM4AXL
SCHEMBL5419161 0.82 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4MEN1
SCHEMBL5416024 0.82 ROCK2 (0.61) ROCK2ROCK1CCR2CHRM4AXL
Hydrochloric Acid SCHEMBL5409783 0.81 ROCK2 (0.53) ROCK2ROCK1CCR2CHRM4AXL

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 ROCK2 2/4885ROCK1 1/4885CCR2 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.