SCHEMBL250894

SCHEMBL250894

N#Cc1ccc(C2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
CYP19A1 P11511 6/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
USP30 Q70CQ3 1/20 0.42
NOTUM Q6P988 1/20 0.42
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
FASN P49327 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL22680616 0.98 MAOA (0.53) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL250728 0.98 MAOA (0.53) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL3706669 0.95 KCNH2 (0.46) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL11567128 0.92 HRH3 (0.52) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL5958188 0.91 GRIA1 (0.49) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL26154101 0.89 HRH3 (0.45) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL21649123 0.88 MAOA (0.44) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL8768480 0.88 MAOA (0.44) MAOAMAOBKCNH2HRH3CYP19A1
SCHEMBL8730878 0.86 MAOA (0.47) MAOAMAOBKCNH2HRH3CYP19A1
Bicarbonate SCHEMBL7275641 0.86 FASN (0.48) HRH3NPC1RAB9AUSP30FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118251445-A Cyclic organosiloxane containing imide bond and polymerizable unsaturated bond and curable resin composition containing the same 信越化学工业株式会社 2024-06-25 CN disclosed
CN-112236464-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2024-02-23 CN disclosed
CN-112204076-B Resin composition, prepreg, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2023-10-24 CN disclosed
CN-116813824-A Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-29 CN disclosed
CN-113646393-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-09-19 CN disclosed
CN-116490555-A Copper-clad laminate and printed circuit board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-116490350-A Resin composition, prepreg, resin sheet, metal foil-clad laminate, and printed wiring board 三菱瓦斯化学株式会社 2023-07-25 CN disclosed
CN-113348079-B Resin composition, resin sheet, multilayer printed wiring board, and semiconductor device 三菱瓦斯化学株式会社 2023-06-02 CN disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 MAOA 351/4885MAOB 526/4885KCNH2 280/4885
US-20120142672-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, APP, BACE2 MAOA 69/4885MAOB 64/4885KCNH2 2344/4885

“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.