SCHEMBL1284030

SCHEMBL1284030

CCCCNc1cc(OCCN(C(C)C)C(C)C)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
MCHR1 Q99705 4/20 0.39
ADORA2A P29274 2/20 0.39
ADORA1 P30542 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
KCNH2 Q12809 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL1283645 0.82 KDM4E (0.50) HSP90AA1HSP90AB1KCNH2TSHR
SCHEMBL8884577 0.82 HSP90AA1 (0.46) LTA4HMCHR1HSP90AA1HSP90AB1LMNA
SCHEMBL4980460 0.77 KDM4E (0.52) HSP90AA1HSP90AB1
SCHEMBL763435 0.77 ALDH1A1 (0.44) HSP90AA1HSP90AB1TLR8TLR7LMNA
SCHEMBL4980706 0.76 KDM4E (0.51) KCNH2TSHR
SCHEMBL7872686 0.76 LTA4H (0.55) LTA4HESR1ESR2MCHR1CHRNB2
SCHEMBL6922589 0.73 LTA4H (0.49) LTA4HESR1ESR2MCHR1ADORA2A
SCHEMBL6808019 0.73 LTA4H (0.49) LTA4HESR1ESR2MCHR1ADORA2A
SCHEMBL4984307 0.72 KDM4E (0.50)
SCHEMBL7875705 0.72 TSHR (0.54) LTA4HESR1ESR2CHRNB2CHRNA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B LTA4H 2960/4885ESR1 144/4885ESR2 65/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B LTA4H 2743/4885ESR1 115/4885ESR2 76/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B LTA4H 2586/4885ESR1 133/4885ESR2 66/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B LTA4H 2586/4885ESR1 133/4885ESR2 66/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B LTA4H 2586/4885ESR1 133/4885ESR2 66/4885

“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.