SCHEMBL498230

SCHEMBL498230

COC(=O)c1ccc(CNCc2ccc(OCc3c(C(C)C)nnn3-c3ccccc3OC(F)(F)F)nc2C)cc1C

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.32
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
RORC P51449 1/20 0.30
NTRK1 P04629 1/20 0.30
NTRK2 Q16620 1/20 0.30
EPHX2 P34913 1/20 0.30
PPARG P37231 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL498231 0.87 NR1H4 (0.35) MBOAT4
SCHEMBL497775 0.80 NR1H4 (0.41)
SCHEMBL498383 0.76 NR1H4 (0.43)
SCHEMBL27761420 0.76 NR1H4 (0.36) NTRK1NTRK2
SCHEMBL2771740 0.76 KDM4E (0.40) OPRK1OPRM1OPRD1RORCEPHX2
SCHEMBL498218 0.75 KCNN4 (0.32)
SCHEMBL2771509 0.74 NR1H4 (0.40) OPRK1OPRM1OPRD1
SCHEMBL498288 0.74 SLC5A1 (0.33)
SCHEMBL3159725 0.69 NR1H4 (0.41)
SCHEMBL2771312 0.68 IDH1 (0.35) PPARG

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 MBOAT4 230/4885OPRK1 862/4885OPRM1 1933/4885

“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.