SCHEMBL3708487

SCHEMBL3708487

CCc1nc(CC)c(C)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 3/20 0.43
ADORA2A P29274 2/20 0.43
DDAH1 O94760 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALK Q9UM73 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GNRHR P30968 3/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CCNE2 O96020 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
SCHEMBL443983 0.88 ADORA1 (0.41) ADORA1ADORA3ADORA2ADDAH1KMT2A
SCHEMBL11115095 0.84 ADORA1 (0.39) ADORA1ADORA3ADORA2ADDAH1KMT2A
SCHEMBL13384268 0.81 ADORA1 (0.36) ADORA1ADORA3ADORA2ADDAH1KMT2A
SCHEMBL18824951 0.78 ADORA1 (0.34) ADORA1ADORA3ADORA2ADDAH1KMT2A
SCHEMBL2020536 0.77
SCHEMBL6440203 0.76 ADORA1 (0.33) ADORA1ADORA3ADORA2ADDAH1KMT2A
SCHEMBL9125303 0.75 ADORA1 (0.43) ADORA1ADORA3ADORA2ADDAH1HTT
SCHEMBL8590742 0.75 GAA (0.45) DDAH1KMT2AKDM4EHTTGAA
SCHEMBL11301203 0.73 TAAR1 (0.36) ADORA1DDAH1KMT2AKDM4ECYP2D6
SCHEMBL3813547 0.73

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 16 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
CN-112867583-B Flux and solder paste 千住金属工业株式会社 2022-03-04 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
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
EP-2371821-B1 Volatile imidazoles and group 2 imidazole based metal precursors AIR PROD & CHEM (US) 2014-06-18 EP 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-4529537-A Liquid epoxy resin hardeners and processes for their preparation BASF AKTIENGESELLSCHAFT (DE) 1985-07-16 US disclosed
EP-0131842-A1 Liquid curing agents for epoxy resins, and process for their preparation BASF Aktiengesellschaft (DE) 1985-01-23 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.