SCHEMBL4712640

SCHEMBL4712640

COc1ccc2c(c1)C1c3c(Cl)cc(Cl)cc3NC(C(=O)O)C1O2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSPA1A P0DMV8 2/20 0.43
▸ PTPN7 P35236 2/20 0.43
▸ GAPDH P04406 1/20 0.43
▸ HSPA8 P11142 1/20 0.43
▸ BRAF P15056 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ DPP4 P27487 1/20 0.33

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
SCHEMBL4712011 0.87 GAPDH (0.47) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4712075 0.86 GAPDH (0.45) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4712642 0.86 BRAF (0.34) HSPA1APTPN7GAPDHHSPA8BRAF
SCHEMBL4711682 0.84 GAPDH (0.45) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4715692 0.84 HSPA1A (0.45) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4710922 0.84 GAPDH (0.45) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4712095 0.83 HSPA1A (0.47) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4711422 0.82 GAPDH (0.43) HSPA1AGAPDHHSPA8PTGS2HCRTR2
SCHEMBL6823825 0.81 GAPDH (0.46) HSPA1APTPN7GAPDHHSPA8
SCHEMBL4712064 0.79 GAPDH (0.42) HSPA1APTPN7GAPDHHSPA8

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-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP claimed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US claimed
US-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2004-12-09 — — US claimed
EP-1412361-B1 SUBSTITUTED 5,6,6A,11B-TETRAHYDRO-7-OXA-5-AZA-BENZO[C]FLUORENE-6-CARBOXYLIC ACID DERIVATIVES SERVING AS NMDA ANTAGONISTS GRUENENTHAL GMBH (DE) 2008-07-23 — — EP disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-7199130-B2 Substituted 5,6,6a, 11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2007-04-03 — — US disclosed
US-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRUENENTHAL GMBH (DE) 2004-12-09 — — US disclosed
WO-2004069840-A2 PRODUCTION OF TETRAHYDROQUINOLINE BENZOFURANS Grünenthal GmbH (DE) 2004-08-19 — — 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-20040248889-A1 Substituted 5,6,6a,11b-tetrahydro-7-oxa-5-aza-benzo[c]fluorene-6-carboxylic acid compounds as NMDA-antagonists GRIN3A, GRIK5, GRIN2C HSPA1A 3663/4885PTPN7 3384/4885GAPDH 1396/4885

“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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