SCHEMBL965429

SCHEMBL965429

Cc1cn(CC2CCC2)c(=NC(=O)C23CC4CC(CC(O)(C4)C2)C3)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.36
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
PREP P48147 1/20 0.32
ABL1 P00519 1/20 0.32
TSHR P16473 1/20 0.32
RIN1 Q13671 1/20 0.32
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL965427 1.00 HSD11B1 (0.36) HSD11B1CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL962392 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL965533 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL1613962 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL965532 0.86 CNR2 (0.37) CNR2CNR1
SCHEMBL966520 0.82 NPC1 (0.46) HSD11B1CNR2CNR1SMN1; SMN2NPC1
SCHEMBL966522 0.82 NPC1 (0.46) HSD11B1CNR2CNR1SMN1; SMN2NPC1
SCHEMBL966124 0.82 HSD11B1 (0.37) HSD11B1CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL966126 0.82 HSD11B1 (0.37) HSD11B1CNR2CNR1SMN1; SMN2KDM4E
SCHEMBL966072 0.81 CNR1 (0.33) HSD11B1CNR2CNR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 US claimed
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 EP disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 US disclosed
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
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 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 (3 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-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HSD11B1 1629/4885CNR2 2/4885CNR1 1/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 HSD11B1 1629/4885CNR2 2/4885CNR1 1/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 HSD11B1 2983/4885CNR2 5/4885CNR1 10/4885

“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.