SCHEMBL3287653

SCHEMBL3287653

COc1ccc(C2C(NC(=O)c3cc(OC)ccc3OC)C2(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CLK1 P49759 2/20 0.44
CLK2 P49760 2/20 0.44
CLK4 Q9HAZ1 1/20 0.44
POLB P06746 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
KDM1A O60341 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NAMPT P43490 1/20 0.40
CHRNA7 P36544 1/20 0.40
PRMT5 O14744 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
SCHEMBL3287651 1.00 MAPT (0.46) MAPTHTTNPSR1CYP2C9RXFP1
SCHEMBL3287656 1.00 MAPT (0.46) MAPTHTTNPSR1CYP2C9RXFP1
SCHEMBL3288321 0.95 NPC1 (0.46) MAPTHTTNPSR1CYP2C9RXFP1
SCHEMBL3288314 0.95 NPC1 (0.46) MAPTHTTNPSR1CYP2C9RXFP1
SCHEMBL3288316 0.95 NPC1 (0.46) MAPTHTTNPSR1CYP2C9RXFP1
SCHEMBL3293731 0.93 HDAC8 (0.44) MAPTHTTCYP2C9RXFP1CLK1
SCHEMBL3293720 0.93 HDAC8 (0.44) MAPTHTTCYP2C9RXFP1CLK1
SCHEMBL3293723 0.93 HDAC8 (0.44) MAPTHTTCYP2C9RXFP1CLK1
SCHEMBL3288061 0.92 CLK1 (0.52) MAPTHTTNPSR1CLK1CLK2
SCHEMBL3288066 0.92 CLK1 (0.52) MAPTHTTNPSR1CLK1CLK2

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-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP claimed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
EP-2207540-B1 CYCLOPROPYL ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2014-02-26 EP disclosed
US-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US disclosed
US-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC 2009-04-09 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-20090093525-A1 Cyclopropyl aryl amide derivatives and uses thereof AR, ADRA2A, ADRA1A MAPT 2449/4885HTT 907/4885NPSR1 262/4885

“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.