SCHEMBL498138

SCHEMBL498138

CCOC(=O)c1cccc(N(C)Cc2ccc(OCc3c(C(C)C)nnn3-c3c(Cl)cccc3Cl)cc2C)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 10/20 0.52
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARA Q07869 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
P2RY12 Q9H244 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
JMJD6 Q6NYC1 1/20 0.33
MRGPRX4 Q96LA9 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
SCHEMBL497905 0.92 NR1H4 (0.62) NR1H4PPARANPC1RAB9AMRGPRX4
SCHEMBL498134 0.84 NR1H4 (0.53) NR1H4MAPTNPSR1MEN1TSHR
SCHEMBL498460 0.78 NR1H4 (0.56) NR1H4KMT2AMRGPRX4
SCHEMBL498491 0.78 NR1H4 (0.64) NR1H4MRGPRX4
SCHEMBL498302 0.77 NR1H4 (0.60) NR1H4MRGPRX4
SCHEMBL3164099 0.76 NR1H4 (0.63) NR1H4PPARAMRGPRX4
SCHEMBL498056 0.76 NR1H4 (0.53) NR1H4PPARA
SCHEMBL497577 0.76 NR1H4 (0.60) NR1H4MAPTKMT2AMRGPRX4
SCHEMBL498139 0.76 NR1H4 (0.57) NR1H4MAPTNPSR1MEN1TSHR
Methane SCHEMBL3150748 0.75 NR1H4 (0.62) NR1H4PPARAMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US disclosed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP disclosed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885MAPT 4429/4885NPSR1 744/4885

“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.