SCHEMBL422176

SCHEMBL422176

CN1CCN(CCc2ccccc2)CC1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.76
SLC6A3 Q01959 1/20 0.70
MC4R P32245 1/20 0.68
HTR1A P08908 1/20 0.67
DRD2 P14416 1/20 0.67
ACHE P22303 1/20 0.65
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
KCNH2 Q12809 1/20 0.58

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
SCHEMBL4627966 0.96 SIGMAR1 (0.71) SIGMAR1SLC6A3MC4RHTR1ADRD2
SCHEMBL2056159 0.93 SLC6A3 (0.72) SIGMAR1SLC6A3MC4RHTR1ADRD2
SCHEMBL6056974 0.91 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2ACHE
SCHEMBL13150782 0.91 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2ACHE
SCHEMBL14407778 0.91 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2ACHE
SCHEMBL7264546 0.91 SLC6A3 (0.83) SIGMAR1SLC6A3HTR1ADRD2ACHE
SCHEMBL21650852 0.88 SIGMAR1 (0.61) SIGMAR1SLC6A3MC4RHTR1ADRD2
SCHEMBL3593088 0.88 SIGMAR1 (0.89) SIGMAR1MC4R
SCHEMBL2056151 0.86 SIGMAR1 (1.00) SIGMAR1MC4R
SCHEMBL12668136 0.86 SLC6A3 (0.68) SIGMAR1SLC6A3HTR1ADRD2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247559-A1 Benzofuropyrimidinones EXELIXIS, INC. (US) 2009-10-01 US claimed
EP-2097419-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS Exelixis, Inc. (US) 2009-09-09 EP claimed
WO-2009086264-A1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS, INC. (US) 2009-07-09 WO claimed
EP-1644338-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES Aponetics AG (CH) 2006-04-12 EP claimed
WO-2004087679-A1 2, 4, 6-TRISUBSTITUTED PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF NEOPLASTIC AND AUTOIMMUNE DISEASES APONETICS AG (CH) 2004-10-14 WO claimed
CN-113200978-B Isothia (selenium) azolone derivative and application thereof in anti-coronavirus drugs 中国海洋大学 2022-09-16 CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
EP-3145929-B1 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS WHICH ARE JAK INHIBITORS HOFFMANN LA ROCHE (CH) 2021-01-13 EP disclosed
EP-3322706-B1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-11-11 EP disclosed
WO-2020123847-A1 ORGANIC COMPOUNDS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-18 WO disclosed
WO-2018136661-A1 SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-07-26 WO disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-07-12 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US disclosed
US-7186724-B2 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands AVENTIS PHARMACEUTICALS INC. (US) 2007-03-06 US 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 (5 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-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 SIGMAR1 3258/4885SLC6A3 1914/4885MC4R 1194/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 SIGMAR1 65/4885SLC6A3 3/4885MC4R 352/4885
US-20090247559-A1 Benzofuropyrimidinones F12, BRI3BP, BRD1 SIGMAR1 647/4885SLC6A3 1276/4885MC4R 557/4885
US-20070161641-A1 Novel heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands DRD3, DRD2, HTR3C SIGMAR1 55/4885SLC6A3 10/4885MC4R 465/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SIGMAR1 136/4885SLC6A3 4136/4885MC4R 698/4885

“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.