SCHEMBL5409819

SCHEMBL5409819

N[C@H]1CC[C@H](Oc2cccc3[nH]ncc23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.42
AXL P30530 2/20 0.42
IDO1 P14902 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
FEN1 P39748 1/20 0.40
METAP2 P50579 1/20 0.40
BRD4 O60885 1/20 0.38
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
MET P08581 1/20 0.36
ROCK2 O75116 1/20 0.36
ARHGDIA P52565 1/20 0.36
ROCK1 Q13464 1/20 0.36
TIPARP Q7Z3E1 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MCHR1 Q99705 2/20 0.35
EPAS1 Q99814 2/20 0.35

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
SCHEMBL5423886 1.00 NOS1 (0.42) NOS1AXLIDO1DRD2DRD4
SCHEMBL5409826 1.00 NOS1 (0.42) NOS1AXLIDO1DRD2DRD4
SCHEMBL5425268 0.84 HRH1 (0.49) NOS1AXLIDO1DRD2DRD4
SCHEMBL5419689 0.83 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
SCHEMBL5419690 0.83 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
SCHEMBL5409811 0.83 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
SCHEMBL5409808 0.83 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
SCHEMBL5409805 0.83 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
Hydrochloric Acid SCHEMBL5414945 0.82 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4
Hydrochloric Acid SCHEMBL5414941 0.82 PIM1 (0.40) NOS1AXLIDO1DRD2DRD4

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 NOS1 131/4885AXL 1805/4885IDO1 2940/4885

“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.