SCHEMBL4135535

SCHEMBL4135535

CSc1cccc(-c2ccc3c(c2)CCC(N2CCCC2C)C3)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.35
CYP1A2 P05177 4/20 0.34
CYP11B1 P15538 4/20 0.34
CYP11B2 P19099 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
KCNH2 Q12809 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
FFAR1 O14842 1/20 0.34
ADCY8 P40145 1/20 0.32
ADCY1 Q08828 1/20 0.32
IDO1 P14902 1/20 0.32
BACE1 P56817 1/20 0.31
PTGS1 P23219 2/20 0.31

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
SCHEMBL4129121 0.86 HRH3 (0.39) ASIC3CYP1A2CYP11B1CYP11B2HRH3
SCHEMBL4142343 0.86 HRH3 (0.40) ASIC3CYP1A2CYP11B1CYP11B2HRH3
SCHEMBL4141100 0.85 HRH3 (0.38) ASIC3CYP1A2CYP11B1CYP11B2HRH3
SCHEMBL4135773 0.84 CYP11B1 (0.37) ASIC3CYP1A2CYP11B1CYP11B2HRH3
SCHEMBL4132406 0.84 MCHR1 (0.37) ASIC3CYP1A2CYP11B1CYP11B2HRH3
SCHEMBL4135883 0.84 HTR1D (0.40) CYP1A2CYP11B1CYP11B2CYP3A4CYP2C9
SCHEMBL4136097 0.82 TMEM97 (0.46) CYP11B1CYP11B2HRH3DRD4DRD3
SCHEMBL4145720 0.81 HCRTR1 (0.34) ASIC3HRH3KCNH2TSHRMCHR1
SCHEMBL4130668 0.81 ASIC3 (0.46) ASIC3CYP11B1CYP11B2HRH3KCNH2
SCHEMBL4140216 0.81 HRH3 (0.46) ASIC3CYP1A2CYP11B1CYP11B2HRH3

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 ASIC3 388/4885CYP1A2 1220/4885CYP11B1 810/4885

“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.