SCHEMBL1814737

SCHEMBL1814737

COCCN1CCN(c2cc[c]cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
SIGMAR1 Q99720 2/20 0.45
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 4/20 0.43
DRD3 P35462 2/20 0.43
HTR2A P28223 2/20 0.43
HRH1 P35367 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
KCNH2 Q12809 2/20 0.42
MAP4K4 O95819 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
CHRNA7 P36544 1/20 0.40
TLR9 Q9NR96 1/20 0.39
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL26922761 0.91 KCNH2 (0.45) DRD2SIGMAR1HSD17B10HTR1ADRD3
SCHEMBL4576516 0.84 DRD2 (0.46) DRD2SIGMAR1HSD17B10HTR1ADRD3
SCHEMBL4575709 0.81 DRD2 (0.44) DRD2SIGMAR1HTR1ADRD3HTR2A
SCHEMBL8350747 0.81 MAPT (0.58) DRD2SIGMAR1HSD17B10HTR1AHTR2A
SCHEMBL4576289 0.81 DRD2 (0.68) DRD2SIGMAR1HTR1ADRD3KCNH2
SCHEMBL24681554 0.80 KDM4E (0.60) DRD2SIGMAR1HTR1ADRD3HTR2A
SCHEMBL1812286 0.80 MAPT (0.62) DRD2SIGMAR1HSD17B10HTR1ADRD3
SCHEMBL29964154 0.80 DRD2 (0.51) DRD2SIGMAR1HSD17B10HTR1ADRD3
SCHEMBL19099996 0.80 DRD2 (0.73) DRD2SIGMAR1HSD17B10HTR1AHTR2A
SCHEMBL6151540 0.80 MAPT (0.62) DRD2SIGMAR1HSD17B10HTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023240024-A1 SULFAMIDE DERIVATIVES AS CYCLIN-DEPENDENT KINASE 2 INHIBITORS NIKANG THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
CN-1549817-A Pyrrolo pyrimidines, process for their preparation, their use and pharmaceutical compositions containing them ��˹��ŵ�� 2004-11-24 CN disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 WO disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ DRD2 4870/4885SIGMAR1 4770/4885HSD17B10 3939/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ DRD2 4763/4885SIGMAR1 4150/4885HSD17B10 3166/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 DRD2 2931/4885SIGMAR1 1974/4885HSD17B10 3210/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 DRD2 2713/4885SIGMAR1 724/4885HSD17B10 3046/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ DRD2 4752/4885SIGMAR1 4489/4885HSD17B10 3120/4885

“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.