SCHEMBL3940149

SCHEMBL3940149

Cc1ccc(CNCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SIGMAR1 Q99720 8/20 0.58
NR1I3 Q14994 3/20 0.54
CHRM2 P08172 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
ROCK1 Q13464 1/20 0.51
PNMT P11086 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45

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
SCHEMBL3390640 0.83 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL3243483 0.83 NR1I3 (0.56) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL31177919 0.82 CA1 (0.69) CYP1A2CHRM2CA12CA1CA2
SCHEMBL11881942 0.82 CA1 (0.69) CYP1A2CHRM2CA12CA1CA2
Hydrochloric Acid SCHEMBL3950184 0.81 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL5177620 0.79 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL12168011 0.79 SIGMAR1 (0.66) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL5177989 0.78 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C9CYP2C19SIGMAR1
SCHEMBL14731917 0.78 TMEM97 (0.71) SIGMAR1PNMTKCNH2TMEM97
SCHEMBL16352695 0.78 TMEM97 (0.71) SIGMAR1PNMTKCNH2TMEM97

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US claimed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP claimed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO claimed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 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-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CETP, APOB, HDLBP CYP1A2 318/4885CYP2D6 394/4885CYP2C9 471/4885

“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.