SCHEMBL5409808

SCHEMBL5409808

N[C@@H]1CCC[C@@H](Oc2cccc3[nH]ncc23)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
NOS1 P29475 4/20 0.39
AXL P30530 2/20 0.39
ROCK1 Q13464 2/20 0.39
MCHR1 Q99705 3/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
IDO1 P14902 1/20 0.37
ULK1 O75385 1/20 0.37
METAP2 P50579 1/20 0.36
ROCK2 O75116 1/20 0.36
ARHGDIA P52565 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
BRD4 O60885 1/20 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
SCHEMBL5409805 1.00 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5419690 1.00 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5419689 1.00 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5409811 1.00 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
Hydrochloric Acid SCHEMBL5414945 0.99 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
Hydrochloric Acid SCHEMBL5414941 0.99 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
Hydrochloric Acid SCHEMBL5414940 0.99 PIM1 (0.40) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5423886 0.83 NOS1 (0.42) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5409819 0.83 NOS1 (0.42) PIM1NOS1AXLROCK1MCHR1
SCHEMBL5409826 0.83 NOS1 (0.42) PIM1NOS1AXLROCK1MCHR1

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 PIM1 760/4885NOS1 131/4885AXL 1805/4885

“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.