SCHEMBL3997047

SCHEMBL3997047

O=C(NC1(c2ccccc2Cl)CCCCC1=O)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.59
▸ GRIN1 Q05586 2/20 0.59
▸ GRIN2A Q12879 2/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ GRIN2D O15399 1/20 0.59
▸ GRIN3B O60391 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ OPRM1 P35372 1/20 0.59
▸ GRIN2B Q13224 1/20 0.59
▸ CACNA1C Q13936 1/20 0.59
▸ GRIN2C Q14957 1/20 0.59
▸ GRIN3A Q8TCU5 1/20 0.59
▸ TRPV1 Q8NER1 2/20 0.49
▸ FAAH O00519 1/20 0.48

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
SCHEMBL12650015 0.87 GRIN1 (0.50) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL19688701 0.86 GRIN1 (0.67) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL29209237 0.86 GRIN1 (0.67) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL19386242 0.84 GRIN1 (0.68) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL3990887 0.82 GRIN1 (0.55) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL19688879 0.82 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL19400501 0.82 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL30308901 0.82 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL19400462 0.82 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D
SCHEMBL4407465 0.82 GRIN1 (0.61) SLC6A4GRIN1GRIN2AOPRK1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027854-A1 Analgesic uses of norketamine and ketamine/norketamine prodrugs Yaupon Therapeutics, Inc. (US) 2009-02-25 — — EP claimed
JP-2006510618-A — — 2006-03-30 — — JP claimed
EP-1567145-A1 ANALGESIC USES OF NORKETAMINE AND KETAMINE/NORKETAMINE PRODRUGS Yaupon Therapeutics, Inc. (US) 2005-08-31 — — EP claimed
US-20040248964-A1 Analgesic uses of norketamine and ketamine/norketamine prodrugs YAUPON THERAPEUTICS, INC. 2004-12-09 — — US claimed
WO-2004045601-A1 ANALGESIC USES OF NORKETAMINE AND KETAMINE/NORKETAMINE PRODRUGS YAUPON THERAPEUTICS, INC. (US) 2004-06-03 — — WO claimed
EP-1567145-B1 ANALGESIC USES OF (S)-NORKETAMINE YAUPON THERAPEUTICS INC (US) 2009-06-03 — — EP disclosed
EP-1567145-A1 ANALGESIC USES OF NORKETAMINE AND KETAMINE/NORKETAMINE PRODRUGS Yaupon Therapeutics, Inc. (US) 2005-08-31 — — EP disclosed
US-20040248964-A1 Analgesic uses of norketamine and ketamine/norketamine prodrugs YAUPON THERAPEUTICS, INC. 2004-12-09 — — US disclosed
WO-2004045601-A1 ANALGESIC USES OF NORKETAMINE AND KETAMINE/NORKETAMINE PRODRUGS YAUPON THERAPEUTICS, INC. (US) 2004-06-03 — — 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-20040248964-A1 Analgesic uses of norketamine and ketamine/norketamine prodrugs OPRK1, OPRM1, OPRL1 SLC6A4 38/4885GRIN1 296/4885GRIN2A 105/4885

“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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