SCHEMBL12746121

SCHEMBL12746121

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
EPHX2 P34913 10/20 0.45
NAAA Q02083 1/20 0.43
CA2 P00918 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
PGR P06401 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40
P2RX7 Q99572 1/20 0.40

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
SCHEMBL12745752 0.88 NPC1 (0.61) NPC1EPHX2NAAACA2ALDH1A1
SCHEMBL12745770 0.84 EPHX2 (0.57) NPC1EPHX2NAAACA2CNR2
SCHEMBL12745726 0.83 EPHX2 (0.63) NPC1EPHX2CNR2ALDH1A1POLB
SCHEMBL13893813 0.82 MAPT (0.48) NPC1EPHX2NAAACA2POLB
SCHEMBL12826766 0.82 P2RX7 (0.53) NPC1EPHX2NAAACA2ALDH1A1
SCHEMBL8736764 0.82 EPHX2 (0.56) EPHX2CA2ALDH1A1P2RX7
SCHEMBL12745466 0.82 CYP17A1 (0.44) NPC1EPHX2NAAA
SCHEMBL12746117 0.82 CNR2 (0.50) NPC1EPHX2CNR2
SCHEMBL12745733 0.81 ALDH1A1 (0.55) NPC1ALDH1A1POLB
SCHEMBL12745746 0.80 EPHX2 (0.46) NPC1EPHX2CA2CNR2P2RX7

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 1 patent. 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

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-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 NPC1 813/4885EPHX2 312/4885NAAA 15/4885

“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.