SCHEMBL3601571

SCHEMBL3601571

CC(C)(C)NC(=O)C1(OC(=O)C(F)(F)F)CC1c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35
BRS3 P32247 3/20 0.34
KCNH2 Q12809 2/20 0.34
KDM1A O60341 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
DGAT1 O75907 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GRIA2 P42262 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MAOB P27338 1/20 0.32
TGFBR1 P36897 3/20 0.32

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
SCHEMBL3610730 0.85 NPC1 (0.39) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL3595614 0.82 NPC1 (0.40) NPC1PTPN1PTPN6PTPN11SMN1; SMN2
SCHEMBL3606263 0.76 TP53 (0.31) NPC1RXFP1TP53
Trifluoroacetic Acid SCHEMBL3601568 0.70 KDM1A (0.41) NPC1RXFP1PTPN1PTPN6PTPN11
Trifluoroacetic Acid SCHEMBL3601567 0.70 KDM1A (0.41) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL8453602 0.70 KDM1A (0.43) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL4449737 0.66 NPC1 (0.40) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL4442040 0.66 NPC1 (0.40) NPC1RXFP1PTPN1PTPN6PTPN11
Hydrochloric Acid SCHEMBL3605048 0.66 NPC1 (0.45) NPC1RXFP1PTPN1PTPN6PTPN11
SCHEMBL24989401 0.63 TGFBR1 (0.47) NPC1RXFP1ALOX5APFEN1TGFBR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP disclosed
US-8299102-B2 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals SANOFI (FR) 2012-10-30 US disclosed
US-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2010-01-21 US disclosed
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP 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-20100016278-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS PTGIS, TBXAS1, EDNRA NPC1 3008/4885RXFP1 140/4885PTPN1 1734/4885

“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.