SCHEMBL4139655

SCHEMBL4139655

COc1ccc(-c2ccc3c(c2)CCC(N2Cc4ccccc4C2)C3)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.46
BRD9 Q9H8M2 1/20 0.39
BRD7 Q9NPI1 1/20 0.39
CHEK1 O14757 1/20 0.38
JAK2 O60674 1/20 0.38
APLNR P35414 1/20 0.37
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP11B1 P15538 2/20 0.34
CYP11B2 P19099 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIN2B Q13224 2/20 0.34
ALDH1A1 P00352 1/20 0.34

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 0.87 BRD9 (0.40) IDH1BRD9BRD7APLNRGRIA2
SCHEMBL4144552 0.86 BRD9 (0.40) IDH1BRD9BRD7APLNRGRIA2
SCHEMBL4136350 0.84 BRD9 (0.39) IDH1BRD9BRD7JAK2GRIA2
SCHEMBL4773243 0.84 BRD9 (0.39) IDH1BRD9BRD7APLNRCYP1A2
SCHEMBL4131005 0.83 IDH1 (0.37) IDH1BRD9BRD7APLNRGRIA2
SCHEMBL4145752 0.77 IDH1 (0.36) IDH1BRD9BRD7APLNRGRIA2
SCHEMBL4152594 0.77 IDH1 (0.36) IDH1BRD9BRD7CHEK1GRIA2
SCHEMBL4136323 0.74 IDH1 (0.39) IDH1BRD9BRD7APLNRGRIA2
SCHEMBL4136905 0.70 HTR7 (0.44) GRIN2BALDH1A1
SCHEMBL4140498 0.68 HRH3 (0.49) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9

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 4112/4885BRD9 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.