SCHEMBL4547701

SCHEMBL4547701

C[C@@H](NC(=O)c1ccc2cc(C(C)(C)C)ccc2c1)c1ccc(CO)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP17A1 P05093 3/20 0.41
CYP3A4 P08684 3/20 0.41
PDE2A O00408 2/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 3/20 0.40
B3GNT2 Q9NY97 3/20 0.40
HPGDS O60760 2/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL2750327 0.86 NR1H4 (0.52) NR1H4MEN1LMNAMAPK1KMT2A
SCHEMBL2748995 0.86 NR1H4 (0.52) NR1H4MEN1LMNAMAPK1KMT2A
SCHEMBL4547700 0.79 NR1H4 (0.46) NR1H4MEN1LMNAMAPK1KMT2A
SCHEMBL2903698 0.78 NR1H4 (0.56) NR1H4MEN1LMNAMAPK1KMT2A
SCHEMBL2750176 0.77 ROCK2 (0.52) NR1H4MEN1LMNAMAPK1KMT2A
SCHEMBL263827 0.76 NR1H4 (0.48) NR1H4MEN1KMT2ACYP17A1CYP3A4
SCHEMBL21467201 0.75 CYP17A1 (0.57) NR1H4MEN1LMNAKMT2ACYP17A1
SCHEMBL2907275 0.74 TAS1R3 (0.47) NR1H4MEN1MAPK1KMT2ACYP17A1
SCHEMBL2907278 0.74 TAS1R3 (0.47) NR1H4MEN1MAPK1KMT2ACYP17A1
SCHEMBL1644338 0.74 NR1H4 (0.48) NR1H4LMNAPDE2APPARGROCK2

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 4 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 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 NR1H4 665/4885MEN1 1555/4885LMNA 2168/4885

“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.