SCHEMBL2906747

SCHEMBL2906747

Cc1cc(CNC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)c(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 12/20 0.51
NR1H4 Q96RI1 11/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BTK Q06187 1/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL2905066 0.84 SCN9A (0.43) EPHX2RAB9AMEN1NPC1KMT2A
SCHEMBL2909521 0.83 LMNA (0.55) EPHX2NR1H4MAPTLMNAALDH1A1
SCHEMBL1841616 0.79 ROCK2 (0.52) EPHX2NR1H4MAPTSMN1; SMN2BTK
SCHEMBL1840713 0.76 ALDH1A1 (0.59) EPHX2NR1H4MAPTSMN1; SMN2LMNA
SCHEMBL2912322 0.76 ESRRG (0.56) MAPTRAB9ANPC1
SCHEMBL269559 0.76 SMN1; SMN2 (0.49) EPHX2NR1H4MAPTSMN1; SMN2LMNA
SCHEMBL2007932 0.74 EPHX2 (0.51) EPHX2NR1H4MAPTLMNAALDH1A1
SCHEMBL1839844 0.73 EPHX2 (0.45) EPHX2NR1H4MAPTLMNARAB9A
SCHEMBL1842237 0.73 ROCK2 (0.52) EPHX2NR1H4MAPTSMN1; SMN2LMNA
SCHEMBL1838659 0.72 RAB9A (0.45) EPHX2NR1H4SMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP claimed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US claimed
EP-2069302-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS Pfizer Inc. (US) 2009-06-17 EP claimed
WO-2008032204-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-03-20 WO claimed
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US disclosed
US-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER, INC. 2009-12-24 US 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-20090318497-A1 SUBSTITUTED PYRIDYLMETHYL BICYCLICCARBOXYAMIDE COMPOUNDS CNR1, CNR2, HCAR3 EPHX2 2655/4885NR1H4 665/4885MAPT 4798/4885

“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.