SCHEMBL500995

SCHEMBL500995

CCN1CCN(Cc2ccc(-n3c(C(=O)NC4CC4)nnc3-c3cc(C(C)C)c(OC)cc3O)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.41
SSTR5 P35346 3/20 0.40
SSTR1 P30872 1/20 0.40
HRH1 P35367 1/20 0.40
HSP90AA1 P07900 3/20 0.39
HTR4 Q13639 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL500673 0.94 MCHR1 (0.41) MCHR1SSTR5SSTR1HRH1HSP90AA1
SCHEMBL500991 0.93 HSP90AA1 (0.47) MCHR1HSP90AA1HSP90AB1PDK1KDM4E
SCHEMBL501326 0.92 HSP90AA1 (0.46) MCHR1SSTR5SSTR1HRH1HSP90AA1
SCHEMBL500804 0.91 MCHR1 (0.43) MCHR1SSTR5DRD3KCNH2CCR3
SCHEMBL501454 0.91 CHRM1 (0.39) HSP90AA1CYP2D6CCR3HSP90AB1PDK1
SCHEMBL500891 0.91 HSP90AA1 (0.41) HSP90AA1CCR3HSP90AB1PDK1CHRM5
SCHEMBL500665 0.90 MEN1 (0.42) MCHR1HSP90AA1DRD4DRD3ACHE
SCHEMBL500873 0.88 HSP90AA1 (0.42) MCHR1SSTR5HSP90AA1KDM4EALOX15
SCHEMBL501119 0.86 HSP90AA1 (0.46) MCHR1HSP90AA1HSP90AB1PDK1
SCHEMBL501203 0.86 MCHR1 (0.43) MCHR1HSP90AA1DRD3KCNH2CCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US claimed
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP. (US) 2013-11-14 US claimed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP claimed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO claimed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-9539243-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2017-01-10 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity SYNTA PHARMACEUTICALS CORP (US) 2015-05-07 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-8937094-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2015-01-20 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
US-8106083-B2 Triazole compounds that modulate HSP90 activity SYNTA PHARMACEUTICALS CORP. (US) 2012-01-31 US disclosed
EP-2323737-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY Synta Pharmaceuticals Corp. (US) 2011-05-25 EP disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. 2010-05-06 US disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 WO disclosed
WO-2010017545-A2 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARAMCEUTICALS CORP. (US) 2010-02-11 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 (3 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-20150126499-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 MCHR1 4669/4885SSTR5 3858/4885SSTR1 4544/4885
US-20100113447-A1 TRIAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY HSP90AB1, HSP90B1, HSP90AA1 MCHR1 4669/4885SSTR5 3858/4885SSTR1 4544/4885
US-20130303493-A1 Triazole Compounds that Modulate HSP90 Activity HSP90AB1, HSP90B1, HSP90AA1 MCHR1 4669/4885SSTR5 3858/4885SSTR1 4544/4885

“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.