SCHEMBL4363631

SCHEMBL4363631

c1ccc(C2OC3(CCNCC3)c3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 3/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ SIGMAR1 Q99720 8/20 0.47
▸ SLC18A3 Q16572 1/20 0.41
▸ PRCP P42785 3/20 0.38
▸ OPRM1 P35372 2/20 0.37
▸ OPRK1 P41145 1/20 0.36
▸ DRD2 P14416 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
SCHEMBL29705809 1.00 OPRD1 (0.50) OPRD1KCNH2SIGMAR1SLC18A3PRCP
SCHEMBL11781458 0.91 OPRD1 (0.46) OPRD1KCNH2SIGMAR1PRCPDRD2
SCHEMBL30508374 0.88 SIGMAR1 (0.46) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11782034 0.88 SIGMAR1 (0.46) OPRD1KCNH2SIGMAR1PRCPOPRM1
SCHEMBL11686154 0.88 PRCP (0.43) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11870107 0.88 SIGMAR1 (0.43) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11853705 0.85 SIGMAR1 (0.49) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL12175500 0.84 PRCP (0.54) OPRD1KCNH2SIGMAR1PRCP
Bromide SCHEMBL11735141 0.84 OPRD1 (0.43) OPRD1KCNH2SIGMAR1PRCP
SCHEMBL11783954 0.83 DRD2 (0.41) OPRD1KCNH2SIGMAR1SLC18A3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — US claimed
EP-1904477-B1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2009-01-21 — — EP disclosed
EP-1904477-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2008-04-02 — — EP disclosed
US-7332501-B2 Indol-3-yl-carbonyl-spiro-piperidine derivatives as V1a receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2008-02-19 — — US disclosed
WO-2007057775-A1 SPIROPIPERIDINE DERIVATIVES PFIZER LIMITED (GB) 2007-05-24 — — WO disclosed
US-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2007-02-01 — — US disclosed
WO-2007006688-A1 INDOL-3-CARBONYL-SPIRO-PIPERIDINE DERIVATIVES AS V1A RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-18 — — WO disclosed
US-4024263-A ANALGESIC, ANTICONVULSANT, ANTIDEPRESSANT AMERICAN HOECHST CORPORATION (US) 1977-05-17 — — US disclosed
US-3996354-A 1,3-Dihydro-1'-dimethylphosphinylalkyl-3-phenylspiro(isobenzofuran)s AMERICAN HOECHST CORPORATION (US) 1976-12-07 — — US disclosed
US-3980786-A 1,3-Dihydro-3-phenyl-1'-(2-propynyl)spiro[isobenzofuran]s AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US disclosed
US-3980787-A DIURETIC AND ANTIHYPERTENSIVE AGENTS AMERICAN HOECHST CORPORATION (US) 1976-09-14 — — US disclosed
US-3959475-A ANTIDEPRESSANT, TRANQUILIZER, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1976-05-25 — — 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-20070027173-A1 Indol-3-yl-carbonyl-spiro-piperidine derivatives as Vla receptor antagonists AVPR1A, AVPR2, AVPR1B OPRD1 6/4885KCNH2 149/4885SIGMAR1 44/4885

“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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