SCHEMBL4636336

SCHEMBL4636336

CC(C)N(CCCN)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KCNH2 Q12809 2/20 0.52
GBA1 P04062 2/20 0.48
PNMT P11086 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 8/20 0.43
CARM1 Q86X55 1/20 0.41
PRMT1 Q99873 1/20 0.41
PYCR1 P32322 1/20 0.41
IDO1 P14902 2/20 0.41
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL15701699 0.86 CYP1A2 (0.53) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL11120749 0.81 CYP1A2 (0.55) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL2538061 0.80 SIGMAR1 (0.58) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4871862 0.76 GBA1 (0.48) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL3874218 0.76 SIGMAR1 (0.53) CYP1A2CYP2C19CYP2D6CYP2C9SLC6A2
Hydrochloric Acid SCHEMBL31687522 0.74 SIGMAR1 (0.51) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15701698 0.73 SIGMAR1 (0.52) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4910869 0.72 SIGMAR1 (0.51) CYP1A2CYP2C19KCNH2GBA1PNMT
SCHEMBL11456560 0.72 SLC6A2 (0.44) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL4760458 0.72 SIGMAR1 (0.59) CYP1A2CYP2C19CYP3A4CYP2D6KCNH2

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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-20 US disclosed
EP-1931620-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS Sanofi-Aventis (FR) 2008-06-18 EP disclosed
WO-2007034252-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIQUIDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed

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-20080287434-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 CYP1A2 2460/4885CYP2C19 3078/4885CYP3A4 2816/4885

“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.