SCHEMBL12373391

SCHEMBL12373391

O=C(CC1CCCC1)N[C@@H](C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
CNR1 P21554 2/20 0.47
CNR2 P34972 2/20 0.47
BCHE P06276 4/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
LMNA P02545 1/20 0.45
P2RX7 Q99572 1/20 0.45
KMT2A Q03164 1/20 0.44

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
SCHEMBL4993788 1.00 EPHX2 (0.55) EPHX2NPC1RAB9ACNR1CNR2
SCHEMBL15906210 0.77 NPC1 (0.57) EPHX2NPC1RAB9ALMNA
SCHEMBL21881533 0.76 LMNA (0.71) LMNA
SCHEMBL15443128 0.76 TACR1 (0.42) EPHX2NPC1RAB9ASLC6A4SLC6A3
SCHEMBL26208105 0.75 CHRM3 (0.46) NPC1RAB9AKMT2A
SCHEMBL26208048 0.75 CHRM3 (0.46) NPC1RAB9AKMT2A
SCHEMBL2939034 0.75 NAALAD2 (0.51) CNR2LMNAKMT2A
SCHEMBL4805245 0.75 FPR2 (0.53) CNR2LMNAKMT2A
SCHEMBL4805252 0.75 NAALAD2 (0.51) CNR2LMNAKMT2A
SCHEMBL2939032 0.75 FPR2 (0.53) CNR2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-8394968-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-12 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
US-20110195044-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 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-20110195044-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS EPHX2 2195/4885NPC1 65/4885RAB9A 2463/4885

“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.