SCHEMBL498302

SCHEMBL498302

Cc1cc(OCc2c(C(C)C)nnn2-c2c(Cl)cccc2Cl)ccc1N(C)Cc1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 18/20 0.60
MRGPRX4 Q96LA9 1/20 0.41
LIFR P42702 2/20 0.40
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38

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
SCHEMBL498491 0.93 NR1H4 (0.64) NR1H4MRGPRX4LIFR
SCHEMBL3159242 0.92 NR1H4 (0.55) NR1H4MRGPRX4
SCHEMBL498760 0.88 NR1H4 (0.58) NR1H4MRGPRX4
SCHEMBL3164519 0.87 NR1H4 (0.52) NR1H4MRGPRX4
SCHEMBL3168970 0.86 NR1H4 (0.51) NR1H4MRGPRX4
SCHEMBL3161909 0.86 NR1H4 (0.52) NR1H4MRGPRX4
SCHEMBL2773707 0.85 NR1H4 (0.60) NR1H4MRGPRX4LIFRRXRARXRB
SCHEMBL498129 0.85 NR1H4 (0.68) NR1H4MRGPRX4
SCHEMBL498460 0.85 NR1H4 (0.56) NR1H4MRGPRX4LIFR
SCHEMBL498301 0.84 NR1H4 (0.59) NR1H4MRGPRX4LIFR

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-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US claimed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP claimed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US claimed
EP-2029558-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-03-04 EP claimed
WO-2007140174-A2 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2007-12-06 WO claimed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 NR1H4 1/4885MRGPRX4 268/4885LIFR 4222/4885

“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.