SCHEMBL263314

SCHEMBL263314

CCOC(=O)c1cnc2cc(C(C)(C)C)ccc2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
PDE5A O76074 2/20 0.49
PDE6D O43924 1/20 0.49
PDE6A P16499 1/20 0.49
PDE6G P18545 1/20 0.49
PDE6B P35913 1/20 0.49
PDE6C P51160 1/20 0.49
PDE6H Q13956 1/20 0.49
THRB P10828 2/20 0.48
MAPT P10636 5/20 0.47
GAA P10253 3/20 0.47
NPC1 O15118 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK10 P53779 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1285507 0.90 MAPT (0.51) KMT2AMEN1PDE5AMAPTGAA
SCHEMBL4743428 0.90 KMT2A (0.53) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL429137 0.89 PDE5A (0.60) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL1644640 0.88 THRB (0.50) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL10341229 0.86 THRB (0.49) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL12426321 0.85 KMT2A (0.57) KMT2AMEN1THRBMAPTGAA
SCHEMBL1178069 0.85 KMT2A (0.58) KMT2AMEN1THRBMAPTGAA
SCHEMBL4428236 0.84 PDE5A (0.56) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL621104 0.82 KMT2A (0.55) KMT2AMEN1PDE5APDE6DPDE6A
SCHEMBL2723785 0.82 GAA (0.57) KMT2AMEN1THRBMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME PFIZER INC. (US) 2012-04-12 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
EP-2044018-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS Pfizer Japan, Inc. (JP) 2009-04-08 EP disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 WO disclosed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 KMT2A 4132/4885MEN1 4051/4885PDE5A 2198/4885
US-20120088746-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 KMT2A 4280/4885MEN1 4500/4885PDE5A 1809/4885

“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.