SCHEMBL962008

SCHEMBL962008

O=C(Nc1nc(C2CC2)cs1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.67
ADORA1 P30542 4/20 0.56
TMIGD3 P0DMS9 3/20 0.56
GAA P10253 1/20 0.54
HTT P42858 1/20 0.54
CNR1 P21554 1/20 0.53
EPHX2 P34913 2/20 0.50
ALOX5 P09917 1/20 0.50
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADORA2A P29274 2/20 0.46
NTSR1 P30989 1/20 0.46
POLB P06746 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45

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
SCHEMBL2753853 0.78 ALOX5 (0.64) CNR2GAAHTTCNR1EPHX2
SCHEMBL4969168 0.76 ADORA1 (0.68) ADORA1TMIGD3NPC1RAB9AALDH1A1
SCHEMBL1548157 0.76 ALOX5 (0.65) CNR2GAAHTTCNR1EPHX2
SCHEMBL1758714 0.75 CNR2 (0.67) CNR2GAAHTTCNR1EPHX2
SCHEMBL16480470 0.75 ADORA1 (0.70) ADORA1TMIGD3NPC1RAB9AKDM4E
SCHEMBL1759205 0.74 CNR2 (0.62) CNR2GAAHTTKDM4E
SCHEMBL1758655 0.73 CNR2 (0.59) CNR2GAAHTTCNR1EPHX2
SCHEMBL9893165 0.71 ADORA1 (0.65) ADORA1TMIGD3GAANPC1RAB9A
SCHEMBL961304 0.71 EPHX2 (0.66) CNR2GAAHTTCNR1EPHX2
SCHEMBL9891909 0.71 ADORA1 (0.65) ADORA1TMIGD3NPC1RAB9AALDH1A1

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-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 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-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 CNR2 2/4885ADORA1 109/4885TMIGD3 1832/4885

“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.