SCHEMBL2775151

SCHEMBL2775151

CC(C)c1cnn(-c2c(Cl)cc(F)cc2Cl)c1CO

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.37
GABRB3 P28472 3/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPK1 P28482 1/20 0.33
NPBWR1 P48145 2/20 0.33
MCHR1 Q99705 2/20 0.33
KCNJ5 P48544 4/20 0.32
KCNJ3 P48549 4/20 0.32
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
NLRP3 Q96P20 1/20 0.30
P2RX7 Q99572 2/20 0.30
MAPK14 Q16539 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
SCHEMBL1095989 0.83 NR1H4 (0.46) NR1H4GABRB3NPBWR1MCHR1KCNJ5
SCHEMBL2773215 0.80 GABRA1 (0.39) NR1H4GABRB3GABRA1GABRG2MAPK14
SCHEMBL19689518 0.74 NR1H4 (0.47) NR1H4GABRB3GABRA2GABRB2MAPK1
SCHEMBL2770326 0.74 CYP11B1 (0.39) NR1H4GABRB3GABRA2GABRB2MAPK1
SCHEMBL2773022 0.73 GABRA1 (0.33) GABRB3GABRA1GABRG2
SCHEMBL2772785 0.70 CCR1 (0.34) NR1H4GABRB3GABRA1GABRG2P2RX7
SCHEMBL2774647 0.70 NR1H4 (0.45) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL1096331 0.69 NR1H4 (0.44) NR1H4NPBWR1MCHR1MAPK14
SCHEMBL22380324 0.67 GABRA1 (0.42) GABRB3GABRA1GABRG2
SCHEMBL21340190 0.67 NR1H4 (0.43) NR1H4MAPK14

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 3 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 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

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 1/4885GABRB3 405/4885GABRA2 696/4885

“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.