SCHEMBL5669271

SCHEMBL5669271

CCCN(CCC)c1cc2c(cc1CN(Cc1cccc([N+](=O)[O-])c1)C(=O)O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCAR3 P49019 1/20 0.40
PYCR1 P32322 1/20 0.40
ACHE P22303 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
RECQL P46063 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL5669275 1.00 CYP2D6 (0.46) CYP2D6CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL1898579 0.91 ALDH1A1 (0.42) CYP2D6CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL16280198 0.90 HCAR3 (0.40) CYP2D6CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5669773 0.90 HCAR3 (0.40) CYP2D6CYP2C9CYP2C19CYP1A2LMNA
SCHEMBL5670345 0.87 PKM (0.40) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL16279837 0.85 PTGES (0.38) ALDH1A1ACHENPC1RAB9AMEN1
SCHEMBL5670858 0.84 LIMK1 (0.40) LMNAALDH1A1SIGMAR1POLBMAPK1
SCHEMBL5670550 0.84 NR3C1 (0.43) LMNAALDH1A1KDM4E
SCHEMBL5669028 0.82 PTGES (0.39) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5671037 0.82 LMNA (0.46) CYP2D6CYP2C9CYP1A2LMNAALDH1A1

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 CYP2D6 3200/4885CYP2C9 1566/4885CYP2C19 1253/4885

“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.