SCHEMBL2750327

SCHEMBL2750327

Cc1ccc([C@@H](C)NC(=O)c2ccc3cc(C(C)(C)C)ccc3c2)cn1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.52
PDE2A O00408 1/20 0.46
P2RX3 P56373 7/20 0.44
P2RX2 Q9UBL9 7/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
PPARG P37231 4/20 0.44
CYP17A1 P05093 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGDS O60760 2/20 0.42
NR1I2 O75469 1/20 0.42
CYP2C9 P11712 1/20 0.42
B3GNT2 Q9NY97 1/20 0.42

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
SCHEMBL2748995 1.00 NR1H4 (0.52) NR1H4PDE2AP2RX3P2RX2MEN1
SCHEMBL2907275 0.86 TAS1R3 (0.47) NR1H4PDE2AMEN1KMT2AMAPK1
SCHEMBL4547701 0.86 NR1H4 (0.49) NR1H4PDE2AMEN1KMT2ALMNA
SCHEMBL2907278 0.86 TAS1R3 (0.47) NR1H4PDE2AMEN1KMT2AMAPK1
SCHEMBL2750176 0.84 ROCK2 (0.52) NR1H4PDE2AMEN1KMT2ALMNA
SCHEMBL4547700 0.84 NR1H4 (0.46) NR1H4PDE2AMEN1KMT2ALMNA
SCHEMBL2939106 0.84 PDE2A (0.48) NR1H4PDE2AMEN1KMT2A
SCHEMBL2903698 0.81 NR1H4 (0.56) NR1H4PDE2AMEN1KMT2ALMNA
SCHEMBL263827 0.78 NR1H4 (0.48) NR1H4PDE2AMEN1KMT2ACYP17A1
SCHEMBL21467201 0.77 CYP17A1 (0.57) NR1H4MEN1KMT2ALMNACYP17A1

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-8178558-B2 Substituted pyridylmethyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-05-15 US claimed
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
EP-2069302-B1 SUBSTITUTED PYRIDYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS PFIZER (US) 2010-08-25 EP 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 NR1H4 665/4885PDE2A 3264/4885P2RX3 141/4885

“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.