SCHEMBL3774518

SCHEMBL3774518

CC(C)c1cnn(-c2c(Cl)cccc2C(F)(F)F)c1CO

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.39
CCR1 P32246 4/20 0.36
P2RX7 Q99572 4/20 0.35
GABRB3 P28472 2/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
DHODH Q02127 2/20 0.32
HSD11B1 P28845 1/20 0.32
PDE9A O76083 2/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
PDE1C Q14123 1/20 0.32
NPBWR1 P48145 2/20 0.32
MCHR1 Q99705 1/20 0.32
IL1B P01584 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
SCHEMBL1095989 0.87 NR1H4 (0.46) NR1H4GABRB3DHODHGABRA1GABRG2
SCHEMBL2772785 0.87 CCR1 (0.34) NR1H4CCR1P2RX7GABRB3DHODH
SCHEMBL2772320 0.80 DHODH (0.39) P2RX7GABRB3DHODHHSD11B1GABRA1
SCHEMBL2773464 0.78 NR1H4 (0.38) NR1H4CCR1P2RX7DHODH
SCHEMBL2773215 0.77 GABRA1 (0.39) NR1H4GABRB3DHODHGABRA1GABRG2
SCHEMBL2774647 0.75 NR1H4 (0.45) NR1H4NPBWR1MCHR1
SCHEMBL21340190 0.75 NR1H4 (0.43) NR1H4PDE9APDE1C
SCHEMBL2775151 0.75 NR1H4 (0.37) NR1H4P2RX7GABRB3GABRA2GABRB2
SCHEMBL1096331 0.74 NR1H4 (0.44) NR1H4NPBWR1MCHR1
SCHEMBL27896299 0.72 NR1H4 (0.43) NR1H4

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 2 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
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 1/4885CCR1 1483/4885P2RX7 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.