SCHEMBL4136797

SCHEMBL4136797

CCS(=O)(=O)c1ccc(-c2ccc3c(c2)CCC(N2CCN(C(C)C)CC2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
FAAH O00519 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
PDE7B Q9NP56 1/20 0.34
PNMT P11086 1/20 0.34
CHRM2 P08172 4/20 0.34
CHRM1 P11229 4/20 0.34
HTR1B P28222 1/20 0.34
SLC6A9 P48067 1/20 0.34
KCNH2 Q12809 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MLNR O43193 1/20 0.33

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
SCHEMBL4145001 0.89 CHRM2 (0.44) TP53FAAHDRD2DRD3CHRM2
SCHEMBL4141749 0.88 MLNR (0.37) TP53FAAHALDH1A1KDM4ENPSR1
SCHEMBL4130700 0.87 ALDH1A1 (0.39) TP53ALDH1A1KDM4EDRD2DRD3
SCHEMBL4141084 0.85 JAK2 (0.42) ALDH1A1KDM4EDRD2DRD3PNMT
SCHEMBL4139662 0.85 PNMT (0.35) TP53FAAHALDH1A1KDM4ENPSR1
SCHEMBL4127903 0.82 GRIA2 (0.40) FAAHALDH1A1CHRM2CHRM1
SCHEMBL4136716 0.81 HDAC4 (0.38) ALDH1A1KDM4ENPSR1DRD2DRD3
SCHEMBL4152777 0.80 ALDH1A1 (0.45) ALDH1A1CHRM2CHRM1HTR1BSLC6A9
SCHEMBL4143483 0.80 FAAH (0.39) FAAHDRD3KCNH2HRH3
SCHEMBL4141846 0.79 DRD2 (0.35) TP53DRD2DRD3PNMTKCNH2

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 3 patents. 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
EP-2007749-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR Pfizer Products Inc. (US) 2008-12-31 EP claimed
WO-2007105053-A2 TETRALINES ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-09-20 WO 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 TP53 4132/4885FAAH 217/4885ALDH1A1 1667/4885

“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.