SCHEMBL6836383

SCHEMBL6836383

O=[C]C1CCC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.52
▸ AKR1C1 Q04828 1/20 0.52
▸ SLC18A3 Q16572 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GRIN2B Q13224 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SRD5A1 P18405 1/20 0.36

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
SCHEMBL16291431 0.88 SLC18A3 (0.48) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL10177659 0.80 AKR1C3 (0.47) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL10895189 0.78 AKR1C3 (0.61) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL23647061 0.76 CHRNB4 (0.42) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
Bicarbonate SCHEMBL7572186 0.74 AKR1C3 (0.70) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL190417 0.72 SLC18A3 (0.67) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL41763 0.72 — —
SCHEMBL1399533 0.71 SLC18A3 (0.48) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL10343084 0.71 SLC18A3 (0.48) AKR1C3AKR1C1SLC18A3SIGMAR1GAA
SCHEMBL11027831 0.71 AKR1C3 (0.42) AKR1C3AKR1C1SLC18A3SIGMAR1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040266802-A1 Tricyclic analgesics CALVET ALAIN (US) 2004-12-30 — — US disclosed
EP-1235808-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2002-09-04 — — EP disclosed
WO-2000075116-A2 TRICYCLIC ANALGESICS WARNER-LAMBERT COMPANY (US) 2000-12-14 — — WO 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-20040266802-A1 Tricyclic analgesics OPRM1, OPRL1, OPRD1 AKR1C3 296/4885AKR1C1 442/4885SLC18A3 1383/4885

“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.

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