SCHEMBL3586443

SCHEMBL3586443

[CH2]Cc1ccc(N2CCN(C)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 2/20 0.59
ALDH1A1 P00352 3/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 3/20 0.57
KDM4E B2RXH2 2/20 0.57
PTK2B Q14289 2/20 0.57
ADRA2C P18825 1/20 0.57
GFER P55789 1/20 0.57
KMT2A Q03164 1/20 0.57
ESR2 Q92731 1/20 0.57
NCF1 P14598 1/20 0.56
SIRT6 Q8N6T7 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
HTR3A P46098 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL3596202 0.85 CHKA (0.56) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL178275 0.82 ALDH1A1 (0.63) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL28854414 0.81 CHKA (0.50) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL666629 0.81 MAPT (0.63) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL347427 0.80 CHKA (0.86) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL111714 0.80 GAA (0.62) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL3119472 0.80 CHKA (0.59) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL27606228 0.80 CHKA (0.59) CHKAALDH1A1GAAMAPTKDM4E
SCHEMBL4577524 0.79 KDM4E (0.61) CHKAALDH1A1MAPTKDM4E
SCHEMBL8353735 0.78 CHKA (0.57) CHKAALDH1A1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
CN-100406016-C Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2008-07-30 CN disclosed
EP-1931994-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS Novartis AG (CH) 2008-06-18 EP disclosed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US disclosed
CN-1882343-A Use of cathepsin k inhibitors for treating of severe bone loss diseases NOVARTIS AG (CH) 2006-12-20 CN disclosed
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss ZIMMERMANN JOHANN 2006-12-14 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO disclosed
CN-1826124-A Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2006-08-30 CN disclosed
EP-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
EP-1651238-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) 2006-05-03 EP disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO 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
CN-1549717-A Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammation and other diseases ��˹��ŵ�� 2004-11-24 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 (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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases CTSK, CTSB, CTSZ CHKA 611/4885ALDH1A1 4770/4885GAA 37/4885
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss CTSK, CTSB, CTSZ CHKA 380/4885ALDH1A1 4589/4885GAA 98/4885
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CHKA 1031/4885ALDH1A1 3073/4885GAA 3511/4885
US-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN CHKA 584/4885ALDH1A1 4236/4885GAA 3549/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CHKA 3628/4885ALDH1A1 3291/4885GAA 4498/4885

“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.