SCHEMBL4147604

SCHEMBL4147604

c1ccc2c(-c3ccc4c(c3)CCC(N3CCCC3)C4)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
GRIN2B Q13224 2/20 0.41
HTR1D P28221 2/20 0.40
OPRM1 P35372 2/20 0.39
OPRK1 P41145 2/20 0.39
OPRL1 P41146 2/20 0.39
FAAH O00519 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
BCHE P06276 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
OPRD1 P41143 1/20 0.36
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36
HTR6 P50406 1/20 0.35
MCL1 Q07820 1/20 0.35
ACMSD Q8TDX5 1/20 0.35

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
SCHEMBL4133564 0.85 HTR1A (0.48) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4136422 0.84 HTR1A (0.41) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4148840 0.83 ASIC3 (0.37) HTR1AHTR7GPR84BCHECYP11B1
SCHEMBL4130547 0.82 HTR1A (0.46) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4662823 0.82 HTR1A (0.46) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4141665 0.82 HTR1A (0.44) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4136905 0.81 HTR7 (0.44) HTR1AHTR7GRIN2B
SCHEMBL4137098 0.81 HTR1A (0.44) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4145248 0.80 GRIN2B (0.51) HTR1AHTR7GRIN2BHTR1DOPRM1
SCHEMBL4145725 0.80 HTR1A (0.44) HTR1AHTR7GRIN2BHTR1DOPRM1

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 HTR1A 19/4885HTR7 7/4885GRIN2B 86/4885

“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.