SCHEMBL4131332

SCHEMBL4131332

c1ccc(COc2ccc(-c3ccc4c(c3)CCC(N3CCCC3)C4)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.58
CYP2D6 P10635 3/20 0.58
BACE1 P56817 1/20 0.56
HRH1 P35367 1/20 0.47
GRIN2B Q13224 1/20 0.46
FDFT1 P37268 1/20 0.45
FAAH O00519 2/20 0.44
LTA4H P09960 1/20 0.43
ACHE P22303 1/20 0.43
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
WDR5 P61964 1/20 0.42
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41

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
SCHEMBL4142046 0.91 HRH3 (0.56) HRH3CYP2D6BACE1HRH1GRIN2B
SCHEMBL4128063 0.87 HRH3 (0.54) HRH3CYP2D6BACE1HRH1GRIN2B
SCHEMBL4144748 0.86 HRH3 (0.49) HRH3CYP2D6BACE1GRIN2B
SCHEMBL4145248 0.84 GRIN2B (0.51) HRH3BACE1GRIN2BFAAH
SCHEMBL4135788 0.84 HRH3 (0.51) HRH3CYP2D6BACE1HRH1GRIN2B
SCHEMBL4148823 0.84 HTR2A (0.41) HRH3CYP2D6BACE1ACHE
SCHEMBL4141014 0.80 ALDH1A1 (0.47) HRH3CYP2D6RAB9A
SCHEMBL4135443 0.80 ALDH1A1 (0.47) HRH3CYP2D6RAB9A
SCHEMBL4135445 0.80 ALDH1A1 (0.47) HRH3CYP2D6RAB9A
SCHEMBL4147479 0.78 FYN (0.44) HRH3GRIN2BFAAH

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 HRH3 1/4885CYP2D6 1777/4885BACE1 450/4885

“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.