SCHEMBL9892815

SCHEMBL9892815

O=C(Nc1nc2cc(Cl)ccc2s1)[C@@H]1CCN1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
CNR2 P34972 3/20 0.55
CNR1 P21554 1/20 0.55
IDO1 P14902 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CLK1 P49759 2/20 0.51
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DYRK1A Q13627 4/20 0.49
FSCN1 Q16658 1/20 0.49
DHODH Q02127 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HCRTR1 O43613 2/20 0.45

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
SCHEMBL13256813 0.93 CNR2 (0.54) CASP3SENP8SENP7SENP6CNR2
SCHEMBL13257159 0.83 CASP3 (0.67) CASP3SENP8SENP7SENP6CNR2
SCHEMBL9892926 0.82 NPC1 (0.60) CASP3SENP8SENP7SENP6CNR1
SCHEMBL4916768 0.82 NPC1 (0.60) CASP3SENP8SENP7SENP6CNR1
SCHEMBL4916753 0.82 NPC1 (0.60) CASP3SENP8SENP7SENP6CNR1
SCHEMBL24998316 0.80 CASP3 (0.73) CASP3SENP8SENP7SENP6CNR2
SCHEMBL30053921 0.80 CASP3 (0.73) CASP3SENP8SENP7SENP6CNR2
SCHEMBL24997298 0.79 CASP3 (0.71) CASP3SENP8SENP7SENP6CNR2
SCHEMBL13257015 0.79 DYRK1A (0.57) NPC1RAB9ACLK1ALDH1A1SMN1; SMN2
SCHEMBL9893066 0.77 DYRK1A (0.78) IDO1NPC1RAB9ACLK1SMN1; 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 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 CASP3 1643/4885SENP8 4389/4885SENP7 4041/4885

“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.