SCHEMBL9892897

SCHEMBL9892897

O=C(Nc1nc2c(F)cccc2s1)[C@@H]1CCN1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.73
RAB9A P51151 8/20 0.73
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
GAA P10253 8/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
KDM4E B2RXH2 4/20 0.54
ALDH1A1 P00352 4/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PRNP P04156 1/20 0.54
PKM P14618 2/20 0.53
MAPT P10636 4/20 0.51
TP53 P04637 2/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL13257781 0.93 NPC1 (0.67) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13257157 0.93 NPC1 (0.67) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4916768 0.79 NPC1 (0.60) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4916753 0.79 NPC1 (0.60) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL9892926 0.79 NPC1 (0.60) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL13257829 0.79 KMT2A (0.58) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL16254915 0.77 DYRK1A (0.71) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL27004517 0.76 NPC1 (0.64) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL31504577 0.76 NPC1 (0.64) NPC1RAB9ACASP3SENP8SENP7
Hydrochloric Acid SCHEMBL31419722 0.75 RAB9A (0.65) NPC1RAB9AGAAMEN1KMT2A

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 1689/4885RAB9A 1317/4885CASP3 1643/4885

“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.