SCHEMBL4547702

SCHEMBL4547702

Cc1cc(CNC(=O)c2ccc3cc(C(C)(C)C)ccc3n2)ccn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NOD2 Q9HC29 1/20 0.44
SCN9A Q15858 8/20 0.44
SLC40A1 Q9NP59 1/20 0.44
KLKB1 P03952 2/20 0.42
KLK1 P06870 1/20 0.42
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
CHRM4 P08173 1/20 0.41
SCN7A Q01118 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
MAP4K1 Q92918 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40

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 0.82 SCN9A (0.43) MEN1KMT2ASCN9ASCN10A
SCHEMBL263436 0.81 MEN1 (0.47) MEN1KMT2ANOD2SCN9AHDAC3
Hydrochloric Acid SCHEMBL264982 0.80 MEN1 (0.47) MEN1KMT2ANOD2SCN9AHDAC3
SCHEMBL264226 0.77 MEN1 (0.44) MEN1KMT2ANOD2SCN9AHDAC3
SCHEMBL1842100 0.74 TP53 (0.46) MEN1KMT2ASCN9ASLC40A1SCN10A
SCHEMBL2110022 0.74 NPC1 (0.47) MEN1KMT2ASCN9ANR1H4
SCHEMBL25497861 0.73 MEN1 (0.47) MEN1KMT2ASCN9ASCN10A
SCHEMBL25901172 0.71 MEN1 (0.45) MEN1KMT2ASCN9ASCN10A
SCHEMBL25587536 0.70 PTGES (0.50) CHRM4
SCHEMBL14147908 0.70 SCN9A (0.52) MEN1KMT2ASCN9ASCN10A

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 MEN1 1555/4885KMT2A 2933/4885NOD2 2389/4885

“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.