SCHEMBL3288316

SCHEMBL3288316

COc1ccc(OC)c(C(=O)N[C@@H]2[C@@H](c3ccc(C)cc3)C2(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 2/20 0.46
AHR P35869 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
MAPT P10636 3/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CLK1 P49759 2/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 1/20 0.43
POLB P06746 2/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM1A O60341 1/20 0.41

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
SCHEMBL3288321 1.00 NPC1 (0.46) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3288314 1.00 NPC1 (0.46) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3287651 0.95 MAPT (0.46) KCNK3KCNK9MAPTHTTNPSR1
SCHEMBL3287656 0.95 MAPT (0.46) KCNK3KCNK9MAPTHTTNPSR1
SCHEMBL3287653 0.95 MAPT (0.46) KCNK3KCNK9MAPTHTTNPSR1
SCHEMBL3293723 0.93 HDAC8 (0.44) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3293731 0.93 HDAC8 (0.44) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3293720 0.93 HDAC8 (0.44) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3287794 0.91 MEN1 (0.43) NPC1RAB9ALMNAAHRSMN1; SMN2
SCHEMBL3287805 0.91 MEN1 (0.43) NPC1RAB9ALMNAAHRSMN1; SMN2

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-7723391-B2 Cyclopropyl aryl amide derivatives and uses thereof ROCHE PALO ALTO LLC (US) 2010-05-25 US claimed
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 NPC1 282/4885RAB9A 1117/4885LMNA 2838/4885

“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.