SCHEMBL2771663

SCHEMBL2771663

CCCCOc1cc(CNCc2ccc(OCc3c(C(C)C)cnn3-c3c(Cl)cccc3Cl)cc2C)cc(C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.53
MRGPRX4 Q96LA9 2/20 0.38
BCL2 P10415 3/20 0.36
MCL1 Q07820 3/20 0.36
PPARA Q07869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
LIFR P42702 1/20 0.34
KDM4E B2RXH2 1/20 0.33
P4HB P07237 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDGFRA P16234 1/20 0.33
S1PR1 P21453 1/20 0.33
ROCK1 Q13464 1/20 0.33
S1PR5 Q9H228 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
SCHEMBL2771176 0.89 NR1H4 (0.61) NR1H4MRGPRX4PPARASMN1; SMN2LIFR
SCHEMBL2770618 0.88 NR1H4 (0.58) NR1H4MRGPRX4PPARASMN1; SMN2LIFR
SCHEMBL2771506 0.88 NR1H4 (0.49) NR1H4MRGPRX4PPARASMN1; SMN2PDGFRA
SCHEMBL2770409 0.87 NR1H4 (0.49) NR1H4PPARAPDGFRAS1PR1ROCK1
SCHEMBL2771664 0.86 NR1H4 (0.54) NR1H4MRGPRX4BCL2MCL1LIFR
SCHEMBL2773885 0.84 NR1H4 (0.59) NR1H4MRGPRX4PPARALIFR
SCHEMBL2771059 0.84 NR1H4 (0.57) NR1H4MRGPRX4PPARAPDGFRAS1PR1
SCHEMBL2771368 0.84 NR1H4 (0.59) NR1H4MRGPRX4PPARALIFR
SCHEMBL2772215 0.83 NR1H4 (0.56) NR1H4MRGPRX4PPARALIFRPDGFRA
SCHEMBL2773673 0.82 NR1H4 (0.47) NR1H4PPARAPDGFRAS1PR1ROCK1

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 247/4885BCL2 3665/4885

“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.