SCHEMBL3947879

SCHEMBL3947879

CC(C)(C)c1ccc(CNCCc2ccc(Cl)c(F)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
NR1I3 Q14994 1/20 0.46
ESRRG P62508 3/20 0.43
ESRRB O95718 1/20 0.43
SIGMAR1 Q99720 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CNR1 P21554 1/20 0.43
KCNH2 Q12809 2/20 0.42
TMEM97 Q5BJF2 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
Hydrochloric Acid SCHEMBL3944196 0.99 CYP1A2 (0.51) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL3276787 0.89 CA1 (0.51) CA1CA2CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL4158010 0.88 CYP1A2 (0.51) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL3243483 0.87 NR1I3 (0.56) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL4028051 0.87 CA1 (0.55) CA1CA2ESRRGL3MBTL1TRPV1
Hydrochloric Acid SCHEMBL3950184 0.86 CYP1A2 (0.58) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL3272738 0.84 CA1 (0.49) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL3231014 0.83 CA1 (0.54) CA1CA2CYP1A2CYP2D6CYP2C19
SCHEMBL3244690 0.82 CA1 (0.50) CA1CA2ESRRGL3MBTL1TRPV1
SCHEMBL44108 0.82 CA1 (0.53) CA1CA2CYP1A2CYP2D6CYP2C19

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
EP-1984322-B1 BENZAMIDE AND HETEROARENE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-09-26 EP disclosed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed
US-20090171091-A1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2009-07-02 US 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 CA1 4644/4885CA2 4559/4885CYP1A2 318/4885

“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.