SCHEMBL2247348

SCHEMBL2247348

COC(=O)c1ccc(C2(c3ccc(OCc4ccccc4)cc3)CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
RAB9A P51151 5/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 4/20 0.46
MAOB P27338 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43

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
SCHEMBL2244088 0.89 NR4A2 (0.58) SMN1; SMN2MRGPRX4RAB9ANPC1MAOB
SCHEMBL2245921 0.89 MAOB (0.52) MRGPRX4MAOBNR4A2PARP10
SCHEMBL2253640 0.85 LMNA (0.54) SMN1; SMN2KMT2AMEN1RAB9AMAPT
SCHEMBL12356792 0.85 SMN1; SMN2 (0.55) SMN1; SMN2KMT2AMEN1RAB9AMAPT
SCHEMBL2248748 0.84 CHRM4 (0.49) FAAHCNR2SLC6A5
SCHEMBL2250158 0.82 CA1 (0.51) SMN1; SMN2KMT2AMEN1RAB9AMAPT
SCHEMBL2246402 0.82 RXRA (0.41) SMN1; SMN2KMT2AMEN1RAB9AMAPT
SCHEMBL2247258 0.81 RORC (0.45) SMN1; SMN2RAB9ANPC1
SCHEMBL2244057 0.81 STS (0.44) SMN1; SMN2KMT2ARAB9AMAPTFAAH
SCHEMBL2250082 0.80 NR4A2 (0.65) MRGPRX4MAOBNR4A1NR4A2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989472-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
US-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use MERCK & CO., INC. 2009-08-20 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-20090209564-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds And Methods Of Use GCGR, GLP1R, GPR119 SMN1; SMN2 3414/4885KMT2A 4294/4885MEN1 1614/4885

“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.