SCHEMBL264134

SCHEMBL264134

C[C@@H](NC(=O)c1ccc2cc(C(C)(C)C)ccc2c1)c1ccc2nn[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.47
PDE2A O00408 4/20 0.42
CYP17A1 P05093 3/20 0.40
CYP3A4 P08684 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
MTTP P55157 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGDS O60760 1/20 0.37
HPGD P15428 1/20 0.36
B3GNT2 Q9NY97 2/20 0.36

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
SCHEMBL263432 0.87 MAPK1 (0.42) NR1H4PDE2AROCK2ROCK1MEN1
SCHEMBL263422 0.87 PDE2A (0.46) NR1H4PDE2A
SCHEMBL263827 0.80 NR1H4 (0.48) NR1H4PDE2ACYP17A1CYP3A4ROCK2
SCHEMBL269762 0.80 PDE2A (0.45) NR1H4PDE2A
SCHEMBL269222 0.80 MAPK1 (0.41) NR1H4ROCK2ROCK1MEN1KMT2A
SCHEMBL2903698 0.77 NR1H4 (0.56) NR1H4PDE2ACYP17A1CYP3A4ROCK2
SCHEMBL264024 0.76 SMYD3 (0.49) NR1H4PDE2AMEN1KMT2A
SCHEMBL2750176 0.75 ROCK2 (0.52) NR1H4PDE2ACYP17A1CYP3A4ROCK2
SCHEMBL2748995 0.75 NR1H4 (0.52) NR1H4PDE2ACYP17A1CYP3A4MEN1
SCHEMBL2750327 0.75 NR1H4 (0.52) NR1H4PDE2ACYP17A1CYP3A4MEN1

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-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 US disclosed
US-8134004-B2 Substituted N-bicyclicalkyl bicycliccarboxyamide compounds PFIZER INC. (US) 2012-03-13 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
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
US-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS PFIZER INC 2009-10-08 US disclosed
WO-2008007211-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLIC CARBOXYAMIDE COMPOUNDS PFIZER JAPAN INC. (JP) 2008-01-17 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-20090253740-A1 SUBSTITUTED N-BICYCLICALKYL BICYCLICCARBOXYAMIDE COMPOUNDS OPRL1, CNR1, TRPV1 NR1H4 298/4885PDE2A 2484/4885CYP17A1 2071/4885

“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.