SCHEMBL368904

SCHEMBL368904

Cc1cc(C(=O)CC(c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.48
WNT3A P56704 1/20 0.47
GRM5 P41594 7/20 0.44
GRM1 Q13255 6/20 0.44
NAMPT P43490 1/20 0.44
TNK2 Q07912 1/20 0.43
PDK4 Q16654 1/20 0.42
CDK7 P50613 1/20 0.42
CDK13 Q14004 1/20 0.42
CDK12 Q9NYV4 1/20 0.42
SOS1 Q07889 1/20 0.41
CNR1 P21554 3/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
BTK Q06187 1/20 0.40

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
SCHEMBL369505 1.00 GPBAR1 (0.48) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL10291774 0.92 GPBAR1 (0.47) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL368890 0.91 GPBAR1 (0.62) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL368892 0.91 GPBAR1 (0.62) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL368893 0.91 GPBAR1 (0.62) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL368891 0.91 GPBAR1 (0.62) GPBAR1WNT3AGRM5GRM1NAMPT
SCHEMBL362897 0.89 GPBAR1 (0.53) GPBAR1WNT3ANAMPTCNR1
SCHEMBL368575 0.83 GPBAR1 (0.51) GPBAR1WNT3ANAMPT
SCHEMBL368574 0.83 GPBAR1 (0.51) GPBAR1WNT3ANAMPT
SCHEMBL1390627 0.82 GPBAR1 (0.48) GPBAR1WNT3ANAMPT

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
EP-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 GPBAR1 1/4885WNT3A 4280/4885GRM5 394/4885

“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.