SCHEMBL3698722

SCHEMBL3698722

CCCc1[nH]c(CC)nc1CC

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.39
ADORA3 P0DMS8 3/20 0.39
ADORA2A P29274 2/20 0.39
DDAH1 O94760 1/20 0.34
GLA P06280 1/20 0.33
PDK2 Q15119 4/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
PDK4 Q16654 2/20 0.31
TNKS2 Q9H2K2 1/20 0.31

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
SCHEMBL28286871 0.91 GLA (0.38) ADORA1ADORA3ADORA2AGLAPDK2
SCHEMBL28285520 0.91 ADORA1 (0.39) ADORA1ADORA3ADORA2ADDAH1GLA
SCHEMBL9125303 0.84 ADORA1 (0.43) ADORA1ADORA3ADORA2ADDAH1GAA
SCHEMBL3693696 0.83 GLA (0.38) ADORA1ADORA3ADORA2AGLA
SCHEMBL28285467 0.83 ADORA1 (0.39) ADORA1ADORA3ADORA2ADDAH1GLA
SCHEMBL3701880 0.80 GLA (0.39) ADORA1ADORA3ADORA2AGLAPDK2
SCHEMBL18633271 0.80 TSHR (0.31)
SCHEMBL3703117 0.78 PDK2 (0.40) ADORA1ADORA3ADORA2ADDAH1GLA
SCHEMBL3710240 0.78 PDK2 (0.36) ADORA1ADORA3ADORA2APDK2HTT
SCHEMBL3708772 0.75 ALDH1A1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481878-B1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2024-05-22 EP disclosed
CN-109476803-B Amine compositions useful for making polyurethane foams 赢创运营有限公司 2022-04-12 CN disclosed
US-11021561-B2 Amine composition useful for making polyurethane foam EVONIK OPERATIONS GMBH (DE) 2021-06-01 US disclosed
EP-3481878-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM Evonik Degussa GmbH (DE) 2019-05-15 EP disclosed
CN-109476803-A It can be used for manufacturing the amine composition of polyurethane foam 赢创德固赛有限公司 2019-03-15 CN disclosed
WO-2018013590-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK DEGUSSA GMBH (DE) 2018-01-18 WO disclosed
US-20180009930-A1 AMINE COMPOSITION USEFUL FOR MAKING POLYURETHANE FOAM EVONIK OPERATIONS GMBH (DE) 2018-01-11 US disclosed
US-9018387-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-04-28 US disclosed
US-8680289-B2 Complexes of imidazole ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-03-25 US disclosed
EP-2580223-A1 COMPLEXES OF IMIDAZOLE LIGANDS Air Products and Chemicals, Inc. (US) 2013-04-17 EP disclosed
US-20130078391-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-03-28 US disclosed
US-20120121806-A1 Complexes Of Imidazole Ligands AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-17 US disclosed
WO-2011156699-A1 COMPLEXES OF IMIDAZOLE LIGANDS AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-12-15 WO disclosed
US-4514556-A REACTION OF 2-ETHYL-4-METHYL IMIDAZOLE WITH CATALYST AND FORMALDEHYDE OR METHYLENIZING AGENT, CURING AGENT FOR EPOXY RESIN SHIKOKU CHEMICALS CORPORATION (JP) 1985-04-30 US disclosed
EP-0126531-A2 4,4'-Methylene-bis-(2-ethyl-5-methyl imidazole) and methods of producing and using the same SHIKOKU CHEMICALS CORPORATION (JP) 1984-11-28 EP 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-20130078391-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM ADORA1 4398/4885ADORA3 3461/4885ADORA2A 4328/4885
US-20120121806-A1 Complexes Of Imidazole Ligands ICOSLG, CLTC, PICALM ADORA1 4398/4885ADORA3 3461/4885ADORA2A 4328/4885

“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.