SCHEMBL4131005

SCHEMBL4131005

COc1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)c(C)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.37
BRD9 Q9H8M2 1/20 0.37
BRD7 Q9NPI1 1/20 0.37
GRIA2 P42262 1/20 0.37
KCNH2 Q12809 2/20 0.35
HTR1B P28222 1/20 0.35
SLC6A9 P48067 1/20 0.35
HRH3 Q9Y5N1 3/20 0.34
PDE7A Q13946 1/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
ESR1 P03372 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OTUD7B Q6GQQ9 1/20 0.32
APLNR P35414 1/20 0.32

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 0.89 BRD9 (0.40) IDH1BRD9BRD7GRIA2KCNH2
SCHEMBL4144552 0.88 BRD9 (0.40) IDH1BRD9BRD7GRIA2KCNH2
SCHEMBL4773243 0.86 BRD9 (0.39) IDH1BRD9BRD7GRIA2KCNH2
SCHEMBL4136350 0.86 BRD9 (0.39) IDH1BRD9BRD7GRIA2HRH3
SCHEMBL4139655 0.83 IDH1 (0.46) IDH1BRD9BRD7GRIA2ALDH1A1
SCHEMBL4139699 0.83 PIK3CA (0.41) KCNH2HTR1BSLC6A9HRH3PIK3CA
SCHEMBL4145752 0.81 IDH1 (0.36) IDH1BRD9BRD7GRIA2HRH3
SCHEMBL4152777 0.79 ALDH1A1 (0.45) KCNH2HTR1BSLC6A9HRH3TLR9
SCHEMBL4152594 0.76 IDH1 (0.36) IDH1BRD9BRD7GRIA2PIK3CA
SCHEMBL4147560 0.75 CYP11B1 (0.40) GRIA2KCNH2HTR1BSLC6A9HRH3

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 IDH1 4112/4885BRD9 4160/4885BRD7 1500/4885

“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.