SCHEMBL4135876

SCHEMBL4135876

OCc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
HTR1D P28221 2/20 0.40
FYN P06241 1/20 0.38
FAAH O00519 1/20 0.38
BACE1 P56817 1/20 0.38
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
DGAT1 O75907 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
CYP19A1 P11511 1/20 0.34
SCD O00767 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ACHE P22303 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
SCHEMBL4139692 0.89 HRH3 (0.45) GRIN2BHTR1DFAAHHTR1AHTR7
SCHEMBL4136777 0.87 GRIN2B (0.41) GRIN2BHTR1DFYNFAAHBACE1
SCHEMBL4147479 0.85 FYN (0.44) GRIN2BHTR1DFYNFAAHHTR1A
SCHEMBL4145248 0.83 GRIN2B (0.51) GRIN2BHTR1DFAAHBACE1HTR1A
SCHEMBL4141143 0.82 OPRM1 (0.44) GRIN2BHTR1DFYNFAAHHTR1A
SCHEMBL4132535 0.82 OPRM1 (0.44) GRIN2BHTR1DFYNFAAHHTR1A
SCHEMBL4136629 0.82 OPRM1 (0.44) GRIN2BHTR1DFYNFAAHHTR1A
SCHEMBL4148545 0.82 HTR1A (0.44) GRIN2BHTR1DFAAHHTR1AHTR7
SCHEMBL4147612 0.82 HRH3 (0.43) HRH3HTR2AHTR2CHTR2B
SCHEMBL4143276 0.81 CYP11B2 (0.42) GRIN2BHTR1DHTR1AHTR7CYP1A2

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 GRIN2B 86/4885HTR1D 25/4885FYN 2351/4885

“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.