SCHEMBL165957

SCHEMBL165957

c1ccc2c(c1)N=C1COCCC12

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 6/20 0.42
NOS3 P29474 4/20 0.42
NOS2 P35228 4/20 0.42
ADRA1A P35348 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
Propanol SCHEMBL11577034 0.89 NOS1 (0.35) NOS1NOS3NOS2
SCHEMBL9559207 0.73 NOS1 (0.47) NOS1NOS3NOS2ADRA1A
SCHEMBL145755 0.71 NOS1 (0.50) NOS1NOS3NOS2ADRA1A
SCHEMBL30074503 0.71 NOS1 (0.50) NOS1NOS3NOS2ADRA1A
SCHEMBL16115899 0.69 NOS1 (0.44) NOS1NOS3NOS2
SCHEMBL1012779 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A
SCHEMBL3922142 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A
SCHEMBL29357835 0.69 NOS1 (0.40) NOS1NOS3NOS2ADRA1A
SCHEMBL27199706 0.67 NOS1 (0.38) NOS1NOS3NOS2
SCHEMBL1005903 0.67 NOS1 (0.41) NOS1NOS3NOS2ADRA1A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP claimed
EP-1868600-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY Grünenthal GmbH (DE) 2007-12-26 EP claimed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO claimed
WO-2006108565-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVES FOR USE IN THE TREATMENT OF SUBSTANCE DEPENDENCY Grünenthal GmbH (DE) 2006-10-19 WO claimed
EP-3003279-A1 TAMPER-RESISTANT DOSAGE FORM CONTAINING ONE OR MORE PARTICLES Grünenthal GmbH (DE) 2016-04-13 EP disclosed
EP-2928894-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF THE SODIUM IODIDE SYMPORTER Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2015-10-14 EP disclosed
EP-2838512-A1 TAMPER RESISTANT AND DOSE-DUMPING RESISTANT PHARMACEUTICAL DOSAGE FORM Grünenthal GmbH (DE) 2015-02-25 EP disclosed
EP-2819656-A1 TAMPER-RESISTANT DOSAGE FORM COMPRISING PHARMACOLOGICALLY ACTIVE COMPOUND AND ANIONIC POLYMER Grünenthal GmbH (DE) 2015-01-07 EP disclosed
WO-2014191397-A1 TAMPER-RESISTANT DOSAGE FORM CONTAINING ONE OR MORE PARTICLES Grünenthal GmbH (DE) 2014-12-04 WO disclosed
CN-103965207-A Preparation of novel tetrahydropyrano[3,4-b]indole derivatives and application of derivative in antitumor drugs TIANJIN JINYU PHARMACEUTICAL TECHNOLOGY CO LTD 2014-08-06 CN disclosed
CN-103965207-A Preparation of novel tetrahydropyrano[3,4-b]indole derivatives and application of derivative in antitumor drugs TIANJIN JINYU PHARMACEUTICAL TECHNOLOGY CO LTD 2014-08-06 CN disclosed
WO-2014083529-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF THE SODIUM IODIDE SYMPORTER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2014-06-05 WO disclosed
WO-2012028318-A1 TAMPER RESISTANT DOSAGE FORM COMPRISING AN ANIONIC POLYMER Grünenthal GmbH (DE) 2012-03-08 WO disclosed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST NUON THERAPEUTICS, INC. (US) 2010-06-24 US disclosed
EP-2010531-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2009-01-07 EP disclosed
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP disclosed
WO-2007124903-A1 SPIROCYCLIC CYCLOHEXANE DERIVATIVE WITH ANALGESIC PROPERTIES Grünenthal GmbH (DE) 2007-11-08 WO disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 (2 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-20100158905-A1 COMBINATION THERAPY OF ARTHRITIS WITH TRANILAST PTGS2, PTGES2, PTGES NOS1 93/4885NOS3 82/4885NOS2 18/4885
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 NOS1 2714/4885NOS3 1255/4885NOS2 2386/4885

“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.