SCHEMBL2773103

SCHEMBL2773103

COc1cc(CN(C)c2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 11/20 0.52
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MCHR1 Q99705 4/20 0.35
STING1 Q86WV6 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
CYP3A4 P08684 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL2771344 0.93 NR1H4 (0.51) NR1H4MCHR1MRGPRX4
SCHEMBL2770617 0.93 NR1H4 (0.51) NR1H4MCHR1MRGPRX4KDM4ENPC1
SCHEMBL2771508 0.93 NR1H4 (0.51) NR1H4MCHR1MRGPRX4KDM4ENPC1
SCHEMBL2770584 0.93 NR1H4 (0.54) NR1H4CYP4F2CYP4A11MCHR1MRGPRX4
SCHEMBL2770027 0.90 NR1H4 (0.56) NR1H4CYP4F2CYP4A11MCHR1
SCHEMBL2771523 0.89 NR1H4 (0.51) NR1H4
SCHEMBL2770943 0.89 NR1H4 (0.52) NR1H4CYP4F2CYP4A11MRGPRX4PTPN1
SCHEMBL2770441 0.88 NR1H4 (0.54) NR1H4MCHR1MRGPRX4
SCHEMBL2771518 0.88 NR1H4 (0.50) NR1H4MRGPRX4
SCHEMBL2773707 0.88 NR1H4 (0.60) 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 14 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
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
US-7846960-B2 FXR agonists ELI LILLY AND COMPANY (US) 2010-12-07 US disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
EP-2029547-B1 FXR AGONISTS LILLY CO ELI (US) 2010-04-28 EP disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
WO-2007140183-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2007-12-06 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-20090270460-A1 FXR AGONISTS NR1H4, SLC10A1, GPBAR1 NR1H4 1/4885CYP4F2 89/4885CYP4A11 47/4885

“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.