SCHEMBL2770975

SCHEMBL2770975

Cc1cc(OCc2c(C(C)C)cnn2-c2ccccc2OC(F)(F)F)ccc1N(C)Cc1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.44
MRGPRX4 Q96LA9 10/20 0.41
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PPARA Q07869 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.36
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEP1B Q16820 1/20 0.36

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
SCHEMBL2773384 0.93 TRPM8 (0.40) NR1H4PPARATRPM8
SCHEMBL2770610 0.90 TRPM8 (0.38) NR1H4TRPM8
SCHEMBL2772324 0.90 NR1H4 (0.45) NR1H4MRGPRX4PPARACYP26A1CYP3A4
SCHEMBL2771510 0.89 NR1H4 (0.45) NR1H4MRGPRX4PRKAG1PRKAA2PRKAB1
SCHEMBL2770354 0.88 NR1H4 (0.43) NR1H4MRGPRX4PPARATRPM8CYP26A1
SCHEMBL498384 0.87 NR1H4 (0.44) NR1H4MRGPRX4PRKAG1PRKAA2PRKAB1
SCHEMBL2770974 0.86 NR1H4 (0.43) NR1H4MRGPRX4PRKAG1PRKAA2PRKAB1
SCHEMBL2770128 0.85 NR1H4 (0.41) NR1H4TRPM8
SCHEMBL2769708 0.84 NR1H4 (0.51) NR1H4MRGPRX4PPARATRPM8CYP26A1
SCHEMBL2772913 0.83 NR1H4 (0.62) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US claimed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP claimed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US claimed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP claimed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 WO claimed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885MRGPRX4 247/4885PRKAG1 544/4885

“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.