SCHEMBL5047243

SCHEMBL5047243

COCCn1c(C(F)(F)F)cs/c1=N\C(=O)C12CC3CC(CC(C3)C1=O)C2

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CNR2 P34972 6/20 0.33
CNR1 P21554 5/20 0.33
KCNQ3 O43525 1/20 0.30
KCNQ2 O43526 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL965484 0.86 CNR2 (0.41) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL965486 0.86 CNR2 (0.41) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL5044146 0.76 HSD11B1 (0.35) HSD11B1CNR2CNR1HPGD
SCHEMBL961234 0.76 HSD11B1 (0.35) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL961233 0.76 HSD11B1 (0.35) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL961612 0.72 CNR2 (0.44) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL961614 0.72 CNR2 (0.44) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL963379 0.71 HSD11B1 (0.42) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL963380 0.71 HSD11B1 (0.42) HSD11B1NPC1RAB9ACNR2CNR1
SCHEMBL962434 0.70 CNR2 (0.42) HSD11B1NPC1RAB9ACNR2CNR1

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-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

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-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 2983/4885NPC1 691/4885RAB9A 1282/4885

“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.