SCHEMBL454600

SCHEMBL454600

CN(C)CCNC(=O)COC1(CCc2ccc([C@@H]3[C@@H](CCC(O)c4ccc(F)cc4)C(=O)N3c3ccc(F)cc3)cc2)COC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 8/20 0.50
CYP3A4 P08684 3/20 0.50
CNR1 P21554 2/20 0.50
ABCB11 O95342 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
OPRM1 P35372 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
SLC10A1 Q14973 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 2/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL454599 1.00 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL469223 1.00 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL13186852 0.91 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
Iodide SCHEMBL453051 0.90 NPC1L1 (0.49) NPC1L1CYP3A4CNR1ABCB11LMNA
Iodide SCHEMBL453050 0.90 NPC1L1 (0.49) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL469331 0.89 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL451950 0.89 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL451949 0.89 NPC1L1 (0.50) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL10070770 0.89 NPC1L1 (0.53) NPC1L1CYP3A4CNR1ABCB11LMNA
SCHEMBL454832 0.89 NPC1L1 (0.53) NPC1L1CYP3A4CNR1ABCB11LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212175-B2 Pharmaceutical hypocholesterolemic compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2015-12-15 US disclosed
US-20120065168-A1 Pharmaceutical Hypocholesterolemic Compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2012-03-15 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-20120065168-A1 Pharmaceutical Hypocholesterolemic Compositions CYP46A1, DHCR7, HMGCR NPC1L1 5/4885CYP3A4 546/4885CNR1 825/4885

“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.