SCHEMBL2773569

SCHEMBL2773569

CCOC(=O)c1c(C2CCC2)cnn1-c1c(Cl)cccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
CYP2C9 P11712 5/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2D6 P10635 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 2/20 0.40
TP53 P04637 2/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 2/20 0.39

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
SCHEMBL1097050 0.95 PDE4D (0.43) PDE4DPDE4BPDE4APDE4CCYP2C9
SCHEMBL20833878 0.90 HTT (0.40) PDE4DPDE4BPDE4APDE4CCYP2C9
SCHEMBL24087503 0.88 SMN1; SMN2 (0.45) CYP2C9CYP3A4CYP2C19ALDH1A1HTT
SCHEMBL2773589 0.86 TP53 (0.40) ALDH1A1NPSR1HTTLMNAL3MBTL1
SCHEMBL24087507 0.84 TP53 (0.43) ALDH1A1CYP1A2NPC1RAB9AHTT
SCHEMBL19689539 0.82 NR1H4 (0.39) ALDH1A1NPSR1HTTLMNAPOLB
SCHEMBL30035480 0.82 NOD2 (0.41) ALDH1A1NPSR1HTTL3MBTL1POLB
SCHEMBL9682536 0.79 PDE4B (0.46) PDE4DPDE4BPDE4APDE4CCYP2C9
SCHEMBL24087545 0.78 NOD2 (0.38) CYP2C9CYP2C19ALDH1A1CYP1A2NPSR1
SCHEMBL6314202 0.77 TP53 (0.56) CYP2C9CYP3A4CYP2C19ALDH1A1CYP1A2

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 5 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
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 PDE4D 1108/4885PDE4B 531/4885PDE4A 420/4885

“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.