SCHEMBL2770943

SCHEMBL2770943

Cc1cc(OCc2c(C(C)C)cnn2-c2c(Cl)cccc2Cl)ccc1N(C)Cc1ccc(F)c(C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.52
MAPK14 Q16539 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARA Q07869 1/20 0.34
PTPN1 P18031 1/20 0.34
TRPM8 Q7Z2W7 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
SCHEMBL2771218 0.94 NR1H4 (0.51) NR1H4MAPK14MRGPRX4CYP4F2CYP4A11
SCHEMBL2770584 0.92 NR1H4 (0.54) NR1H4MRGPRX4CYP4F2CYP4A11
SCHEMBL2773939 0.90 NR1H4 (0.52) NR1H4MRGPRX4
SCHEMBL2771523 0.90 NR1H4 (0.51) NR1H4TRPM8
SCHEMBL2770441 0.89 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2773103 0.89 NR1H4 (0.52) NR1H4MRGPRX4CYP4F2CYP4A11PTPN1
SCHEMBL2771518 0.88 NR1H4 (0.50) NR1H4MAPK14MRGPRX4
SCHEMBL2773707 0.88 NR1H4 (0.60) NR1H4MRGPRX4TRPM8
SCHEMBL2770617 0.88 NR1H4 (0.51) NR1H4MAPK14MRGPRX4
SCHEMBL2771344 0.88 NR1H4 (0.51) NR1H4MAPK14MRGPRX4

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 1/4885MAPK14 2903/4885MRGPRX4 247/4885

“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.