SCHEMBL1892130

SCHEMBL1892130

CCCCOC(=O)c1ccc([C@@H](CCC(F)(F)F)c2cnc3cc(OC)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.47
MAOB P27338 2/20 0.43
HPGDS O60760 11/20 0.42
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C19 P33261 2/20 0.38
ESR1 P03372 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 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
SCHEMBL1892127 1.00 SLC2A1 (0.47) SLC2A1MAOBHPGDSLMNACYP1A2
SCHEMBL1895177 0.90 ESR1 (0.46) SLC2A1MAOBLMNACYP1A2TSHR
SCHEMBL1895178 0.90 ESR1 (0.46) SLC2A1MAOBLMNACYP1A2TSHR
SCHEMBL1896472 0.89 SLC2A1 (0.48) SLC2A1LMNACYP1A2TSHRCYP2C19
SCHEMBL1896469 0.89 SLC2A1 (0.48) SLC2A1LMNACYP1A2TSHRCYP2C19
SCHEMBL1895305 0.84 SLC2A1 (0.44) SLC2A1LMNACYP1A2TSHRCYP2C19
SCHEMBL1895303 0.84 SLC2A1 (0.44) SLC2A1LMNACYP1A2TSHRCYP2C19
SCHEMBL1891883 0.74 HPGDS (0.46) HPGDSCYP2C19CYP2C9
SCHEMBL1891884 0.74 HPGDS (0.46) HPGDSCYP2C19CYP2C9
SCHEMBL879944 0.72 TSHR (0.59) LMNACYP1A2TSHRCYP2C19ESR1

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 SLC2A1 297/4885MAOB 1677/4885HPGDS 570/4885

“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.