SCHEMBL2770195

SCHEMBL2770195

Cc1cc(CN(C)c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)cc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.59
MRGPRX4 Q96LA9 3/20 0.41
CYP26A1 O43174 1/20 0.37
CYP3A4 P08684 1/20 0.37
BCL2 P10415 1/20 0.36
MCL1 Q07820 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
SCHEMBL2771180 0.92 NR1H4 (0.63) NR1H4MRGPRX4CYP26A1CYP3A4BCL2
SCHEMBL2773707 0.91 NR1H4 (0.60) NR1H4MRGPRX4
SCHEMBL2771242 0.91 NR1H4 (0.55) NR1H4MRGPRX4
SCHEMBL2771664 0.90 NR1H4 (0.54) NR1H4MRGPRX4BCL2MCL1
SCHEMBL2771061 0.88 NR1H4 (0.57) NR1H4MRGPRX4
SCHEMBL2773887 0.87 NR1H4 (0.61) NR1H4MRGPRX4CYP26A1CYP3A4BCL2
SCHEMBL2770584 0.87 NR1H4 (0.54) NR1H4MRGPRX4
SCHEMBL2773502 0.87 NR1H4 (0.54) NR1H4CYP26A1CYP3A4
SCHEMBL2771437 0.86 NR1H4 (0.58) NR1H4MRGPRX4
SCHEMBL2772620 0.86 NR1H4 (0.58) NR1H4MRGPRX4

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 247/4885CYP26A1 186/4885

“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.