SCHEMBL2270901

SCHEMBL2270901

COC(=O)c1ccc(O[C@H](CC2CCCCC2)c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC6A9 P48067 4/20 0.43
CTSS P25774 1/20 0.42
MGLL Q99685 1/20 0.41
SLC6A4 P31645 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 1/20 0.41
CCR3 P51677 2/20 0.40
LMNA P02545 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
SCHEMBL2270898 1.00 CYP3A4 (0.43) CYP3A4ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL2270317 0.89 LMNA (0.42) CYP3A4ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL2272422 0.89 LMNA (0.42) CYP3A4ALDH1A1CYP1A2TSHRCYP2C19
SCHEMBL30958962 0.89 KMT2A (0.42) CYP3A4ALDH1A1CYP1A2CYP2C19SLC6A9
SCHEMBL2269811 0.89 ADRB1 (0.43) CYP3A4SLC6A9CTSSMGLLSLC6A4
SCHEMBL2269807 0.89 ADRB1 (0.43) CYP3A4SLC6A9CTSSMGLLSLC6A4
SCHEMBL30958984 0.87 SLC6A9 (0.40) CYP3A4SLC6A9CTSSMGLLSLC6A4
SCHEMBL31008512 0.87 SLC6A9 (0.40) CYP3A4SLC6A9CTSSMGLLSLC6A4
SCHEMBL2268768 0.86 GCGR (0.47) CYP3A4ALDH1A1CTSSSMN1; SMN2
SCHEMBL2267326 0.86 GCGR (0.47) CYP3A4ALDH1A1CTSSSMN1; SMN2

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 5 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
EP-1758859-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005118542-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-15 WO 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 CYP3A4 2394/4885ALDH1A1 2897/4885CYP1A2 2107/4885

“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.