SCHEMBL4144552

SCHEMBL4144552

COc1ccc(-c2ccc3c(c2)CCC(N2CCCCC2)C3)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD9 Q9H8M2 1/20 0.40
BRD7 Q9NPI1 1/20 0.40
IDH1 O75874 2/20 0.39
HRH3 Q9Y5N1 8/20 0.38
KCNH2 Q12809 2/20 0.38
HTR1D P28221 2/20 0.35
ESR1 P03372 1/20 0.35
GRIA2 P42262 1/20 0.35
APLNR P35414 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PDE7A Q13946 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 0.99 BRD9 (0.40) BRD9BRD7IDH1HRH3KCNH2
SCHEMBL4136350 0.90 BRD9 (0.39) BRD9BRD7IDH1HRH3ESR1
SCHEMBL4773243 0.90 BRD9 (0.39) BRD9BRD7IDH1HRH3KCNH2
SCHEMBL4131005 0.88 IDH1 (0.37) BRD9BRD7IDH1HRH3KCNH2
SCHEMBL4139655 0.86 IDH1 (0.46) BRD9BRD7IDH1GRIA2APLNR
SCHEMBL4145752 0.82 IDH1 (0.36) BRD9BRD7IDH1HRH3ESR1
SCHEMBL4136679 0.81 HRH3 (0.51) HRH3KCNH2
SCHEMBL4140498 0.80 HRH3 (0.49) HRH3KCNH2
SCHEMBL4152594 0.79 IDH1 (0.36) BRD9BRD7IDH1GRIA2HTR2A
SCHEMBL4136323 0.79 IDH1 (0.39) BRD9BRD7IDH1KCNH2ESR1

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 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.