SCHEMBL12745752

SCHEMBL12745752

CC(=O)Nc1ccc(NC(=O)OC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
EPHX2 P34913 7/20 0.47
PGR P06401 1/20 0.46
NAMPT P43490 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
NAAA Q02083 1/20 0.45
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 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
SCHEMBL12746121 0.88 NPC1 (0.48) NPC1ALDH1A1POLBEPHX2PGR
SCHEMBL12745770 0.86 EPHX2 (0.57) NPC1ALDH1A1MAPTKMT2ATDP1
SCHEMBL12745726 0.85 EPHX2 (0.63) NPC1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL13893813 0.85 MAPT (0.48) NPC1POLBMAPTTDP1EPHX2
SCHEMBL12826766 0.85 P2RX7 (0.53) NPC1ALDH1A1MEN1KMT2AEPHX2
SCHEMBL8736764 0.84 EPHX2 (0.56) SMN1; SMN2ALDH1A1MAPTEPHX2HTT
SCHEMBL12745466 0.84 CYP17A1 (0.44) NPC1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL12746117 0.84 CNR2 (0.50) NPC1EPHX2RAB9A
SCHEMBL12745746 0.82 EPHX2 (0.46) NPC1EPHX2CA2
SCHEMBL11447038 0.82 NPC1 (0.61) NPC1SMN1; SMN2ALDH1A1POLBMAPT

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-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 US disclosed
WO-2009052320-A1 METHODS AND COMPOUNDS FOR MODULATING CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2009-04-23 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 (2 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 NPC1 770/4885SMN1; SMN2 4640/4885ALDH1A1 1479/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 NPC1 813/4885SMN1; SMN2 4524/4885ALDH1A1 1365/4885

“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.