SCHEMBL2773464

SCHEMBL2773464

OCc1c(C2CC2)cnn1-c1c(Cl)cccc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.38
RBP4 P02753 4/20 0.36
P2RX7 Q99572 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
GRM2 Q14416 3/20 0.34
RORC P51449 2/20 0.33
C5AR1 P21730 1/20 0.33
DHODH Q02127 1/20 0.33
CCR1 P32246 1/20 0.32
HTR2C P28335 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32

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
SCHEMBL1095874 0.88 NR1H4 (0.42) NR1H4L3MBTL1GRM2DHODHKCNJ5
SCHEMBL20833740 0.84 NR1H4 (0.43) NR1H4P2RX7RORCDHODHKCNJ5
SCHEMBL2772447 0.83 NR1H4 (0.39) NR1H4L3MBTL1GRM2DHODHKCNJ5
SCHEMBL20833875 0.82 NR1H4 (0.38) NR1H4DHODHKCNJ5KCNJ3
SCHEMBL27839489 0.79 RBP4 (0.34) RBP4L3MBTL1GRM2RORCHTR2C
SCHEMBL3774518 0.78 NR1H4 (0.39) NR1H4P2RX7DHODHCCR1
SCHEMBL20833795 0.77 NR1H4 (0.40) NR1H4DHODH
SCHEMBL2773589 0.77 TP53 (0.40) RBP4P2RX7L3MBTL1
SCHEMBL17839932 0.76 NR1H4 (0.41) NR1H4L3MBTL1GRM2KCNJ5KCNJ3
SCHEMBL19689518 0.75 NR1H4 (0.47) NR1H4KCNJ5KCNJ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448791-B Fxr agonists LILLY CO ELI 2011-11-16 CN 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
US-20090270460-A1 FXR AGONISTS JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-10-29 US disclosed
CN-101448791-A FXR agonists LILLY CO ELI (US) 2009-06-03 CN disclosed
EP-2029547-A1 FXR AGONISTS ELI LILLY AND COMPANY (US) 2009-03-04 EP 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 1/4885RBP4 434/4885P2RX7 802/4885

“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.