SCHEMBL1002723

SCHEMBL1002723

O=C(Nc1nc2c(s1)CCC2)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.52
CNR2 P34972 2/20 0.52
NPC1 O15118 8/20 0.49
RAB9A P51151 8/20 0.49
SMN1; SMN2 Q16637 8/20 0.49
PKM P14618 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 5/20 0.43
TP53 P04637 5/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL1006904 0.87 TSHR (0.56) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL16073072 0.72 SMN1; SMN2 (0.60) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL963578 0.71 NPC1 (0.51) CNR1CNR2NPC1RAB9ASMN1; SMN2
SCHEMBL13278295 0.70 TSHR (0.64) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL7955024 0.69 TSHR (0.67) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL13035816 0.69 TSHR (0.67) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL659214 0.69 TSHR (0.71) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL11220484 0.68 TSHR (0.65) NPC1RAB9ASMN1; SMN2PKMALDH1A1
Potassium Ion SCHEMBL11217723 0.67 TSHR (0.63) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL11924524 0.67 TSHR (0.63) NPC1RAB9ASMN1; SMN2PKMALDH1A1

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 CNR1 1/4885CNR2 2/4885NPC1 501/4885

“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.