SCHEMBL4130376

SCHEMBL4130376

Fc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43
PGR P06401 4/20 0.40
TDP2 O95551 1/20 0.40
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD3 P35462 1/20 0.39
HTR6 P50406 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
HTR1D P28221 2/20 0.39
GRIN2B Q13224 2/20 0.37
MCHR1 Q99705 1/20 0.37
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36

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
SCHEMBL4130877 0.88 HTR1A (0.46) HTR1AHTR7PGRDRD2HTR2A
SCHEMBL4127798 0.88 HTR1D (0.41) HTR1AHTR7OPRM1OPRD1OPRK1
SCHEMBL4141143 0.87 OPRM1 (0.44) HTR1AHTR7OPRM1OPRD1OPRK1
SCHEMBL4136629 0.87 OPRM1 (0.44) HTR1AHTR7OPRM1OPRD1OPRK1
SCHEMBL4132535 0.87 OPRM1 (0.44) HTR1AHTR7OPRM1OPRD1OPRK1
SCHEMBL4132412 0.85 HTR1A (0.47) HTR1AHTR7DRD2HTR2AHTR2C
SCHEMBL4133407 0.85 HTR1A (0.43) HTR1AHTR7DRD2HTR2AOPRM1
SCHEMBL4148545 0.84 HTR1A (0.44) HTR1AHTR7DRD2HTR2AHTR2C
SCHEMBL4139998 0.83 HRH3 (0.45) HTR1AHTR7TDP2OPRM1OPRD1
SCHEMBL4141241 0.82 PGR (0.39) PGRTDP2DRD2HTR2AHTR2C

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 7/4885PGR 3067/4885

“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.