SCHEMBL8558429

SCHEMBL8558429

Cc1ccnc(N2CCN(CCc3c(C)n4c5c(cc(CC(C)C)cc35)CCC4)CC2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.75
DRD2 P14416 4/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 1/20 0.38
HTR2A P28223 4/20 0.36
HTR2C P28335 1/20 0.36
HTR1A P08908 2/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL8555043 0.86 ALOX5 (0.80) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8553220 0.86 ALOX5 (1.00) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8556159 0.86 ALOX5 (0.80) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8552301 0.85 ALOX5 (0.75) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8554253 0.84 ALOX5 (0.77) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8553744 0.84 ALOX5 (0.77) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8554775 0.84 ALOX5 (0.77) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL14198328 0.84 ALOX5 (0.50) ALOX5DRD2HTR2AHTR2CHTR1A
SCHEMBL8555671 0.84 ALOX5 (0.74) ALOX5DRD2DRD4DRD3HTR2A
SCHEMBL8557862 0.84 ALOX5 (0.55) ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders MEDA AB (SE) 2016-06-16 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20090220583-A1 Method and composition for treating inflammatory disorders MEDA AB (SE) 2009-09-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas BIOLIPOX AB (SE) 2008-04-03 US disclosed
EP-0529452-B1 1,7-Condensed 3-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SOLVAY PHARM GMBH (DE) 1998-11-11 EP disclosed
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed
EP-0529452-A2 1,7-Condensed 2-(piperazinoalkyl)indol derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them Kali-Chemie Pharma GmbH (DE) 1993-03-03 EP 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-20090220583-A1 Method and composition for treating inflammatory disorders LIPA, HRH2, HRH1 ALOX5 25/4885DRD2 1684/4885DRD4 2989/4885
US-20160166508-A1 Method and Composition for Treating Inflammatory Disorders LIPA, HRH2, HRH1 ALOX5 25/4885DRD2 1684/4885DRD4 2989/4885
US-20080081835-A1 Use of Ltb4 Inhibitors for the Treatment of B-Cell Leukemias and Lymphomas LTB4R, LTA4H, LTA ALOX5 10/4885DRD2 4524/4885DRD4 3335/4885

“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.