SCHEMBL5670396

SCHEMBL5670396

CCCCN(CC)c1cc2c(cc1CN(Cc1cc(Br)cc(C(F)(F)F)c1)C(=O)O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NOTUM Q6P988 1/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
PKM P14618 2/20 0.32
CETP P11597 2/20 0.32
TP53 P04637 1/20 0.31
TACR1 P25103 2/20 0.31
NR1H2 P55055 2/20 0.31
NR1H3 Q13133 2/20 0.31
SERPINE1 P05121 1/20 0.30

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
SCHEMBL5148351 0.94 CYP3A4 (0.38) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL1901222 0.91 CETP (0.41) NOTUMCETP
SCHEMBL5668906 0.90 CYP3A4 (0.35) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL5148388 0.90 NR1H2 (0.38) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL16279276 0.88 GPBAR1 (0.36) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL16279737 0.88 GPBAR1 (0.38) GPBAR1CETPTACR1SERPINE1
SCHEMBL5669136 0.87 CETP (0.34) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL5671315 0.86 CYP3A4 (0.43) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL16279786 0.86 CYP3A4 (0.43) CYP3A4MAPTMAPK1GPBAR1CETP
SCHEMBL5669577 0.84 GPBAR1 (0.39) GPBAR1CETPTACR1SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
US-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2014-12-11 US disclosed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 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-20140364493-A1 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION CETP, PCSK9, LIPA CYP3A4 1980/4885MAPT 4475/4885MAPK1 4133/4885

“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.