SCHEMBL2772785

SCHEMBL2772785

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

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.34
DHODH Q02127 4/20 0.34
RORC P51449 1/20 0.33
P2RX7 Q99572 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
HSD11B1 P28845 1/20 0.32
TRPA1 O75762 1/20 0.31
NR1H4 Q96RI1 2/20 0.31
CYP1A2 P05177 1/20 0.30
PDE2A O00408 1/20 0.30
KCNN4 O15554 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
SCHEMBL2773215 0.88 GABRA1 (0.39) DHODHGABRA1GABRG2GABRB3NR1H4
SCHEMBL3774518 0.87 NR1H4 (0.39) CCR1DHODHP2RX7GABRA1GABRG2
SCHEMBL2772320 0.81 DHODH (0.39) DHODHP2RX7GABRA1GABRG2GABRB3
SCHEMBL2789889 0.77 CCR1 (0.38) CCR1RORCP2RX7
SCHEMBL1095989 0.75 NR1H4 (0.46) DHODHGABRA1GABRG2GABRB3NR1H4
SCHEMBL2773022 0.71 GABRA1 (0.33) GABRA1GABRG2GABRB3
SCHEMBL2775151 0.70 NR1H4 (0.37) P2RX7GABRA1GABRG2GABRB3NR1H4
SCHEMBL2770799 0.68 TRPA1 (0.38) DHODHP2RX7CYP3A4CYP2D6CYP2C9
SCHEMBL2775248 0.68 KCNK3 (0.37) P2RX7CYP2D6HSD11B1KCNN4
SCHEMBL4032040 0.68 HCAR1 (0.34) GABRA1GABRG2GABRB3

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 CCR1 1483/4885DHODH 2128/4885RORC 123/4885

“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.