SCHEMBL6400103

SCHEMBL6400103

CCc1cc(N)c(N)c(N)c1CC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
DHFR P00374 1/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MAP4K1 Q92918 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9799254 0.86 POLB (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL103249 0.86 POLB (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL395350 0.82 HTT (0.41) POLBHTTDHFRNOS3NOS1
SCHEMBL1568243 0.82 ALDH1A1 (0.37) POLBHTTDHFRNOS3NOS1
SCHEMBL2963613 0.82 DHFR (0.38) POLBHTTDHFRNOS3NOS1
SCHEMBL12797845 0.81 HTT (0.42) POLBHTTDHFRNOS3NOS1
SCHEMBL27593883 0.81 HTT (0.42) POLBHTTDHFRNOS3NOS1
SCHEMBL15272 0.79 ALDH1A1 (0.42) POLBHTTDHFRNOS3NOS1
SCHEMBL394710 0.78 NOS3 (0.39) POLBHTTDHFRNOS3NOS1
SCHEMBL6549465 0.77 ALDH1A1 (0.37) POLBHTTDHFRNOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050153978-A1 Medicaments GLAXO GROUP LIMITED (GB) 2005-07-14 US disclosed
US-20050048115-A1 Buprenorphine microspheres INSYS THERAPEUTICS, INC. 2005-03-03 US disclosed
EP-1487441-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-22 EP disclosed
WO-2003080125-A2 BENZIMIDAZOLES AND THEIR USE AS MITOGEN-ACTIVATED- AND RHO-KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-10-02 WO 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-20050153978-A1 Medicaments GRK1, ROCK1, GRK7 POLB 4482/4885HTT 4712/4885DHFR 4247/4885

“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.