SCHEMBL4130700

SCHEMBL4130700

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCCCC2)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR1D P28221 2/20 0.38
MLNR O43193 1/20 0.37
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
PNMT P11086 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GRIN2B Q13224 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
SCHEMBL4141749 0.96 MLNR (0.37) ALDH1A1KDM4EHTR1DMLNRDRD2
SCHEMBL4139662 0.89 PNMT (0.35) ALDH1A1KDM4EMLNRDRD2DRD3
SCHEMBL4141084 0.89 JAK2 (0.42) ALDH1A1KDM4EDRD2DRD3PNMT
SCHEMBL4139871 0.88 USP30 (0.43) ALDH1A1KDM4EHTR1DDRD3CYP2D6
SCHEMBL4128738 0.87 USP30 (0.36) ALDH1A1KDM4EDRD2DRD3
SCHEMBL4140906 0.87 USP30 (0.43) ALDH1A1KDM4EHTR1DDRD3CYP2D6
SCHEMBL4142661 0.87 USP30 (0.43) ALDH1A1KDM4EHTR1DDRD3CYP2D6
SCHEMBL4140902 0.87 USP30 (0.43) ALDH1A1KDM4EHTR1DDRD3CYP2D6
SCHEMBL4136797 0.87 TP53 (0.40) ALDH1A1KDM4EMLNRDRD2DRD3
SCHEMBL4136716 0.85 HDAC4 (0.38) ALDH1A1KDM4EDRD2DRD3PNMT

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 ALDH1A1 1667/4885KDM4E 4508/4885HTR1D 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.