SCHEMBL806544

SCHEMBL806544

Cc1ccc(N2CCCC2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.59
GRIN2D O15399 1/20 0.56
GRIN3B O60391 1/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
GRIN2B Q13224 1/20 0.56
GRIN2C Q14957 1/20 0.56
GRIN3A Q8TCU5 1/20 0.56
MAPT P10636 2/20 0.51
UBE2T Q9NPD8 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR119 Q8TDV5 1/20 0.49
DHFR P00374 1/20 0.49
DRD2 P14416 3/20 0.48
DRD1 P21728 3/20 0.48
DRD5 P21918 3/20 0.48
DRD3 P35462 3/20 0.48

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
SCHEMBL31415358 1.00 CNR2 (0.59) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1108644 0.98 CNR2 (0.62) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL82447 0.98 CNR2 (0.62) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL11988476 0.96 GRIN2D (0.56) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL21424864 0.91 GRIN2D (0.59) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13115703 0.86 L3MBTL1 (0.52) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13724949 0.84 ALDH1A1 (0.57) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5235313 0.84 BPTF (0.58) CNR2GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL153568 0.84 L3MBTL1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2000301 0.84 GRIN2D (0.53) CNR2GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522963-C Pyrroloimidazole derivatives, their preparation, pharmaceutical compositions containing them and their use as psychotropic agents NIKEM RESEARCH SRL (IT) 2009-08-05 CN claimed
CN-1756757-A Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NIKEM RESEARCH SRL (IT) 2006-04-05 CN claimed
US-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR EUROCHEM ANTWERPEN (BE) 2023-11-09 US disclosed
WO-2023167049-A1 EPOXY RESIN COMPOSITION, REINFORCING FIBER-CONTAINING EPOXY RESIN COMPOSITION, PREPREG, FIBER REINFORCED PLASTIC EMPLOYING SAME, AND THERMOPLASTIC EPOXY RESIN 日鉄ケミカル&マテリアル株式会社 2023-09-07 WO disclosed
WO-2023141511-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2023-07-27 WO disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
WO-2023064585-A1 7,8-DIHYDRO-5H-1,6-NAPHTHYRIDINE DERIVATIVES AS POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 FOR TREATING NEUROLOGICAL AND PSYCHIATRIC DISORDERS VANDERBILT UNIVERSITY (US) 2023-04-20 WO disclosed
WO-2023285661-A1 NOVEL COMPOUNDS FOR THE DIAGNOSIS OF TDP-43 PROTEINOPATHIES AC IMMUNE SA (CH) 2023-01-19 WO disclosed
WO-2022268154-A1 NEW ANTI-HEPATITIS B COMPOUND 上海齐鲁制药研究中心有限公司 2022-12-29 WO disclosed
US-11345713-B2 Compounds as modulators of TLR2 signaling NEUROPORE THERAPIES, INC. (US) 2022-05-31 US disclosed
US-7342006-B2 Substituted 8-heteroaryl xanthines ADENOSINE THERAPEUTICS, LLC (US) 2008-03-11 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADENOSINE THERAPEUTICS, LLC 2007-03-29 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
US-20070066631-A1 Pyrazolyl substituted xanthines ADENOSINE THERAPEUTICS, LLC 2007-03-22 US disclosed
CN-1756757-A Pyrroloimidazole derivatives, their preparation, pharmaceutical composition containing them, and their use as nootropic agents NIKEM RESEARCH SRL (IT) 2006-04-05 CN 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 (6 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-20070066631-A1 Pyrazolyl substituted xanthines ADORA2B, ADORA2A, ADORA3 CNR2 64/4885GRIN2D 1153/4885GRIN3B 460/4885
US-20230357099-A1 PYRAZOLO [3,4-B] PYRIDINE-4-CARBOXAMIDE NITRIFICATION INHIBITOR CBR1, CYC1, CBR3 CNR2 154/4885GRIN2D 911/4885GRIN3B 902/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 CNR2 47/4885GRIN2D 80/4885GRIN3B 23/4885
US-11345713-B2 Compounds as modulators of TLR2 signaling TLR2, TLR4, TLR3 CNR2 577/4885GRIN2D 320/4885GRIN3B 196/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A CNR2 410/4885GRIN2D 552/4885GRIN3B 502/4885
US-20070072843-A1 For treating asthma and improving insulin sensitivity ADORA2B, GPR119, ADORA2A CNR2 98/4885GRIN2D 2991/4885GRIN3B 1921/4885

“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.