SCHEMBL4152594

SCHEMBL4152594

COc1ccc(-c2ccc3c(c2)CCC(N2CCOCC2C)C3)c(C)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.36
GPR84 Q9NQS5 2/20 0.36
ROCK2 O75116 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MTOR P42345 6/20 0.34
PIK3CA P42336 2/20 0.34
ATR Q13535 5/20 0.33
ATRIP Q8WXE1 4/20 0.33
OTUD7B Q6GQQ9 1/20 0.33
PDCD1 Q15116 4/20 0.32
CD274 Q9NZQ7 4/20 0.32
CHEK1 O14757 3/20 0.32
GRIA2 P42262 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL4136350 0.85 BRD9 (0.39) IDH1GPR84BRD9BRD7HTR2A
SCHEMBL4130666 0.80 BRD9 (0.40) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4144552 0.79 BRD9 (0.40) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4145752 0.79 IDH1 (0.36) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4773243 0.78 BRD9 (0.39) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4139655 0.77 IDH1 (0.46) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4131005 0.76 IDH1 (0.37) IDH1BRD9BRD7HTR2AHTR2C
SCHEMBL4136323 0.75 IDH1 (0.39) IDH1BRD9BRD7HTR2CMTOR
SCHEMBL4148493 0.73 MTOR (0.40) MTORPIK3CAATRATRIP
SCHEMBL4130503 0.71 KCNH2 (0.35) MTORPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR HRH3, HRH4, HRH1 IDH1 4112/4885GPR84 46/4885ROCK2 2776/4885

“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.