SCHEMBL2271640

SCHEMBL2271640

CCC[C@@H](O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.46
KIF11 P52732 5/20 0.41
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
GSK3B P49841 1/20 0.36
SLC6A4 P31645 1/20 0.36
TRPV3 Q8NET8 2/20 0.36
CACNA1F O60840 1/20 0.35
CACNA1D Q01668 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
CACNA1S Q13698 1/20 0.35
CACNA1C Q13936 1/20 0.35

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
SCHEMBL2271645 1.00 PDE2A (0.46) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2271634 1.00 PDE2A (0.46) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2268127 0.83 PDE2A (0.54) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2268133 0.83 PDE2A (0.54) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2268129 0.83 PDE2A (0.54) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2270289 0.83 PSEN1 (0.48) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2270286 0.83 PSEN1 (0.48) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2270284 0.83 PSEN1 (0.48) PDE2AKIF11RXRARXRBRXRG
SCHEMBL2271667 0.79 KIF11 (0.46) PDE2AKIF11PSEN1PSEN2APH1B
SCHEMBL2271676 0.79 KIF11 (0.46) PDE2AKIF11PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR PDE2A 386/4885KIF11 3904/4885RXRA 571/4885

“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.