SCHEMBL1891723

SCHEMBL1891723

COc1ccc2cc([C@@H](O)CCC(F)(F)F)ccc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP17A1 P05093 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
SCN9A Q15858 3/20 0.35
KDM2B Q8NHM5 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
RIPK1 Q13546 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NFKB1 P19838 2/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL1891721 1.00 CYP2C9 (0.36) CYP2C9CYP2C19CYP17A1HDAC3HDAC4
SCHEMBL1892903 0.83 APP (0.34) CYP2C9CYP2C19CYP17A1HDAC3HDAC4
SCHEMBL1896413 0.79 ABCB11 (0.53) CYP2C9CYP2C19CYP17A1MEN1KMT2A
SCHEMBL1896411 0.79 ABCB11 (0.53) CYP2C9CYP2C19CYP17A1MEN1KMT2A
SCHEMBL11832003 0.77 UGT2B7 (0.49) CYP2C9HDAC3HDAC4HDAC1HDAC2
SCHEMBL1891884 0.74 HPGDS (0.46) CYP2C9CYP2C19CYP17A1ABCB11
SCHEMBL1891883 0.74 HPGDS (0.46) CYP2C9CYP2C19CYP17A1ABCB11
SCHEMBL14288343 0.74 CDK4 (0.41) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7885656 0.73 PNMT (0.44) MEN1KMT2AMAPK1
SCHEMBL21164372 0.73 BCL2L11 (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8

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-7935713-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-05-03 US disclosed
US-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use MERCK SHARP & DOHME LLC 2009-04-23 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-20090105310-A1 Glucagon Receptor Antagonist Compounds, Compositions Containing Such Compounds and Methods of Use GCGR, GLP1R, GPR119 CYP2C9 2747/4885CYP2C19 2134/4885CYP17A1 1511/4885

“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.