SCHEMBL4136777

SCHEMBL4136777

CCc1ccc(-c2ccc3c(c2)CCC(N2CCCC2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.41
MCHR1 Q99705 4/20 0.40
HTR1D P28221 2/20 0.40
CYP2D6 P10635 1/20 0.39
BACE1 P56817 1/20 0.38
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
FAAH O00519 1/20 0.35
FYN P06241 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
SCHEMBL4135876 0.87 GRIN2B (0.41) GRIN2BHTR1DBACE1HTR1AHTR7
SCHEMBL4148823 0.84 HTR2A (0.41) HTR1DCYP2D6BACE1CYP1A2CYP11B1
SCHEMBL4145248 0.83 GRIN2B (0.51) GRIN2BHTR1DBACE1HTR1AHTR7
SCHEMBL4140221 0.83 MCHR1 (0.38) MCHR1KCNH2
SCHEMBL4148545 0.82 HTR1A (0.44) GRIN2BHTR1DHTR1AHTR7CYP11B1
SCHEMBL4147479 0.82 FYN (0.44) GRIN2BHTR1DHTR1AHTR7CYP1A2
SCHEMBL4136629 0.82 OPRM1 (0.44) GRIN2BHTR1DHTR1AHTR7OPRM1
SCHEMBL4132535 0.82 OPRM1 (0.44) GRIN2BHTR1DHTR1AHTR7OPRM1
SCHEMBL4141143 0.82 OPRM1 (0.44) GRIN2BHTR1DHTR1AHTR7OPRM1
SCHEMBL4130700 0.82 ALDH1A1 (0.39) GRIN2BHTR1DCYP2D6OPRM1OPRK1

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 86/4885MCHR1 287/4885HTR1D 25/4885

“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.