SCHEMBL5449238

SCHEMBL5449238

COc1ccccc1-c1nc(CO)cn1-c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
UGCG Q16739 1/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
PRNP P04156 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL2948208 0.88 PTGS2 (0.55) PTGS2CNR1CA1CA2CA9
SCHEMBL5443076 0.79 CCNE1 (0.45) PTGS2CYP3A4CYP2C19CNR1ALDH1A1
SCHEMBL5440875 0.79 CNR1 (0.55) PTGS2CYP3A4CYP2C19CNR1UGCG
SCHEMBL5445432 0.77 GABRA2 (0.66) PTGS2CYP3A4CYP2C19CNR1GAA
SCHEMBL5444900 0.76 CNR1 (0.56) PTGS2CNR1ALDH1A1MAPTKDM4E
SCHEMBL5447115 0.75 RAB9A (0.51) PTGS2CNR1ALDH1A1SMN1; SMN2NPC1
SCHEMBL5450849 0.75 CNR1 (0.56) PTGS2CYP3A4CYP2C19CNR1ALDH1A1
SCHEMBL5450853 0.74 CNR1 (0.51) PTGS2CYP3A4CYP2C19CNR1UGCG
SCHEMBL5174504 0.74 CNR1 (0.53) PTGS2CNR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5440906 0.73 CNR1 (0.50) PTGS2CYP3A4CYP2C19CNR1CA1

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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
EP-1723119-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087747-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (2 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 PTGS2 1158/4885CYP3A4 4085/4885CYP2C19 4481/4885
US-20070197513-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 PTGS2 1158/4885CYP3A4 4085/4885CYP2C19 4481/4885

“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.