SCHEMBL2824463

SCHEMBL2824463

COc1cccc(C(=O)NCc2ccc(N3CCN(C4CCCC4)CC3)nc2)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
CXCR3 P49682 2/20 0.54
KDM2B Q8NHM5 1/20 0.50
MMP13 P45452 1/20 0.48
WDR5 P61964 1/20 0.48
CHRM3 P20309 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL2829133 0.85 DRD4 (0.64) DRD4MMP13CHRM3MAPT
SCHEMBL4181838 0.77 KDM2B (0.55) DRD4KDM2BTSHRMAPTRAB9A
SCHEMBL2824642 0.77 MAPT (0.53) HRH3MAPTMAPK1SMN1; SMN2
SCHEMBL2132773 0.77 CACNA1G (0.60) DRD4CHRM3SMN1; SMN2
SCHEMBL3791932 0.76 ALDH1A1 (0.60) DRD4MMP13TSHRMAPK1RAB9A
SCHEMBL2826534 0.76 HRH3 (0.46) CXCR3HRH3MAPK1RAB9ASMN1; SMN2
SCHEMBL2136356 0.76 CACNA1G (0.59) DRD4CHRM3SMN1; SMN2
SCHEMBL2827886 0.75 HRH3 (0.53) CXCR3HRH3MAPK1RAB9ASMN1; SMN2
SCHEMBL4175567 0.73 KDM2B (0.55) KDM2BTSHRMAPTRAB9ASMN1; SMN2
SCHEMBL2827541 0.72 CXCR3 (0.53) CXCR3HRH3RAB9ASMN1; SMN2

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
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP claimed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US claimed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP claimed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US claimed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 WO claimed
EP-1824829-B1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-05-05 EP disclosed
US-7528135-B2 Pyridine derivatives as H3 antagonists HOFFMANN-LA ROCHE INC. (US) 2009-05-05 US disclosed
EP-1824829-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2007-08-29 EP disclosed
US-20060122187-A1 Pyridine derivatives as H3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 US disclosed
WO-2006058649-A1 3-SUBSTITUTED PYRIDINE DERIVATIVES AS H3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-08 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 (1 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-20060122187-A1 Pyridine derivatives as H3 antagonists HRH3, HRH4, HRH2 DRD4 841/4885CXCR3 461/4885KDM2B 390/4885

“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.