SCHEMBL4136350

SCHEMBL4136350

COc1ccc(-c2ccc3c(c2)CCC(N2CCOCC2)C3)c(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
IDH1 O75874 2/20 0.38
PIK3CD O00329 1/20 0.38
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
SMPD3 Q9NY59 1/20 0.36
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
GPR84 Q9NQS5 2/20 0.35
HRH3 Q9Y5N1 3/20 0.35
BRD4 O60885 1/20 0.35
GRIA2 P42262 1/20 0.34
OTUD7B Q6GQQ9 1/20 0.34
IMPDH2 P12268 1/20 0.33
PDE7A Q13946 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL4130666 0.91 BRD9 (0.40) BRD9BRD7IDH1HRH3GRIA2
SCHEMBL4144552 0.90 BRD9 (0.40) BRD9BRD7IDH1HRH3GRIA2
SCHEMBL4773243 0.88 BRD9 (0.39) BRD9BRD7IDH1PIK3CAHRH3
SCHEMBL4131005 0.86 IDH1 (0.37) BRD9BRD7IDH1PIK3CAMTOR
SCHEMBL4152594 0.85 IDH1 (0.36) BRD9BRD7IDH1PIK3CAMTOR
SCHEMBL4139655 0.84 IDH1 (0.46) BRD9BRD7IDH1JAK2PIK3CA
SCHEMBL4144743 0.82 PIK3CA (0.42) PIK3CDPIK3CAMTORGPR84HRH3
SCHEMBL4145752 0.79 IDH1 (0.36) BRD9BRD7IDH1PIK3CAMTOR
SCHEMBL4136323 0.75 IDH1 (0.39) BRD9BRD7IDH1PIK3CAMTOR
SCHEMBL13102446 0.73 LMNA (0.44) HTR2A

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-20090163482-A1 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR MCHARDY STANTON FURST 2009-06-25 US claimed
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 BRD9 4160/4885BRD7 1500/4885IDH1 4112/4885

“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.