SCHEMBL9892820

SCHEMBL9892820

CC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RAB9A P51151 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
AR P10275 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDR P35968 3/20 0.43
BRAF P15056 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
JAK2 O60674 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL16238686 0.93 NPC1 (0.60) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL13257803 0.93 NPC1 (0.60) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL9892925 0.92 NPC1 (0.55) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL13257804 0.85 NPC1 (0.60) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL16238432 0.85 NPC1 (0.60) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL17474769 0.84 NPC1 (0.66) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL29639973 0.84 NPC1 (0.71) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL29639985 0.82 NPC1 (0.63) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL22470105 0.81 ALDH1A1 (0.42) NPC1KMT2AMEN1LMNANPSR1
SCHEMBL38659322 0.81 NPC1 (0.61) NPC1KMT2AMEN1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US disclosed
WO-2010147791-A1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-23 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NPC1 1689/4885KMT2A 1863/4885MEN1 4667/4885

“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.