SCHEMBL12105484

SCHEMBL12105484

CN1CCC[C@H]1C(=O)OCC(=O)c1ccc(-c2ccc(C(=O)COC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
UCHL1 P09936 3/20 0.43
KLK7 P49862 1/20 0.43
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.41
TLR2 O60603 1/20 0.40
TLR1 Q15399 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL754137 0.95 NPC1 (0.53) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL11910978 0.95 NPC1 (0.53) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL12102968 0.93 NPC1 (0.44) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL14982149 0.91 NPC1 (0.46) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL18213987 0.91 NPC1 (0.60) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL18209654 0.91 NPC1 (0.60) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL15168879 0.91 KLK7 (0.50) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL13291831 0.91 NPC1 (0.49) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL15168881 0.91 KLK7 (0.50) NPC1HRH2HRH1MEN1KMT2A
SCHEMBL2379613 0.90 NPC1 (0.48) NPC1HRH2HRH1MEN1KMT2A

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-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 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-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS NPC1 357/4885HRH2 3359/4885HRH1 3815/4885

“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.