SCHEMBL967504

SCHEMBL967504

CCCCCC[N]CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
NAAA Q02083 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
OPRM1 P35372 1/20 0.39
SPHK1 Q9NYA1 1/20 0.37
LMNA P02545 1/20 0.36
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
TRPM8 Q7Z2W7 2/20 0.33
ACE2 Q9BYF1 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
SCHEMBL7057536 0.92 DNM1 (0.36) DNM1TSHRTHRBNAAAMEN1
SCHEMBL7057669 0.90 DNM1 (0.40) DNM1TSHRTHRBNAAAMEN1
SCHEMBL7058524 0.82 LMNA (0.38) DNM1TSHRTHRBNAAAMEN1
SCHEMBL489808 0.81
SCHEMBL9211765 0.81 DNM1 (0.37) DNM1TSHRTHRBNAAAMEN1
SCHEMBL107940 0.81 TSHR (0.61) DNM1TSHRTHRBNAAAMEN1
SCHEMBL158837 0.81 LMNA (0.35) TSHRLMNA
SCHEMBL9206028 0.81 TSHR (0.61) DNM1TSHRTHRBNAAAMEN1
SCHEMBL277225 0.81 TSHR (0.61) DNM1TSHRTHRBNAAAMEN1
SCHEMBL4399689 0.81 TSHR (0.61) DNM1TSHRTHRBNAAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3894074-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO Deutschland GmbH (DE) 2021-10-20 EP disclosed
WO-2020120207-A2 CATALYST SYSTEM CONTAINING A METATHESIS CATALYST AND AT LEAST ONE PHENOLIC COMPOUND AND A PROCESS FOR METATHESIS OF NITRILE-BUTADIENE RUBBER (NBR) USING THE CATALYST SYSTEM ARLANXEO DEUTSCHLAND GMBH (DE) 2020-06-18 WO disclosed
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-02-05 US disclosed
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-10 US disclosed
US-9714242-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-07-25 US disclosed
EP-3053992-A1 Biodiesel LANXESS Deutschland GmbH (DE) 2016-08-10 EP disclosed
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2016-05-05 US disclosed
US-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-03-05 US disclosed
US-8772511-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-08 US disclosed
US-8648085-B2 1, 5-dihydro-pyrazolo (3, 4-D) pyrimidin-4-one derivatives and their use as PDE9A mudulators for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 US disclosed
EP-1406891-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES Bayer HealthCare AG (DE) 2004-04-14 EP disclosed
WO-2004013136-A1 BENZOTHIOPHENE UREA, BENZOFURANE UREA, AND INDOLE UREA, AND USE OF THE SAME AS ALPHA-7 ACHR AGONISTS BAYER HEALTHCARE AG (DE) 2004-02-12 WO disclosed
WO-2004005290-A1 SUBSTITUTED IMIDAZOTRIAZINES BAYER HEALTHCARE AG (DE) 2004-01-15 WO disclosed
WO-2003104227-A1 2-HETEROARYL CARBOXAMIDES BAYER HEALTHCARE AG (DE) 2003-12-18 WO disclosed
WO-2003080553-A1 CYCLOPENTENE DERIVATIVES BAYER HEALTHCARE AG (DE) 2003-10-02 WO disclosed
WO-2003059335-A1 PHENYL SULFOXIDES AND PHENYL SULFONES BAYER HEALTHCARE AG (DE) 2003-07-24 WO disclosed
WO-2003053955-A1 THIOCHROMENONES USED TO COMBAT PAINFUL CONDITIONS AND NEURODEGENERATIVE DISEASES BAYER HEALTHCARE AG (DE) 2003-07-03 WO disclosed
EP-1307426-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS Bayer Aktiengesellschaft (DE) 2003-05-07 EP disclosed
US-6555580-B2 Treating arteriosclerosis and hypercholesterolaemia BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
WO-2002012169-A1 AMINO DIPHENYL ETHERS AND AMIDO DIPHENYL ETHERS BAYER AKTIENGESELLSCHAFT (DE) 2002-02-14 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 (4 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-20150065537-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 DNM1 2211/4885TSHR 788/4885THRB 553/4885
US-20180127409-A1 AZABICYCLIC CARBAMATES AND THEIR USE AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS CHRNA7, CHRNA5, CHRNA4 DNM1 2211/4885TSHR 788/4885THRB 553/4885
US-20160122337-A1 2-HETEROARYL CARBOXAMIDES GRIN2A, CNR2, GRIN2C DNM1 585/4885TSHR 4355/4885THRB 3510/4885
US-10196388-B2 Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists CHRNA7, CHRNA5, CHRNA4 DNM1 2211/4885TSHR 788/4885THRB 553/4885

“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.