SCHEMBL9892895

SCHEMBL9892895

O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCN1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.63
ALDH1A1 P00352 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
RAB9A P51151 2/20 0.63
ELOVL1 Q9BW60 2/20 0.61
NPC1 O15118 2/20 0.61
HTT P42858 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 4/20 0.58
ADORA3 P0DMS8 1/20 0.58
GSTO1 P78417 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HSD17B10 Q99714 2/20 0.54
PARP1 P09874 2/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL13257175 0.93 LMNA (0.61) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1
Hydrochloric Acid SCHEMBL31198045 0.85 MEN1 (0.58) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1
Hydrochloric Acid SCHEMBL31198000 0.84 RAB9A (0.53) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL31197976 0.84 RAB9A (0.53) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL31198023 0.84 RAB9A (0.53) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL31197989 0.82 RAB9A (0.54) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1
Hydrochloric Acid SCHEMBL31198081 0.82 RAB9A (0.54) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1
Hydrochloric Acid SCHEMBL31197969 0.82 RAB9A (0.54) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1
SCHEMBL9892816 0.82 MEN1 (0.56) ALDH1A1RAB9ANPC1KDM4EMEN1
SCHEMBL14758306 0.81 KDM4E (0.70) LMNAALDH1A1SMN1; SMN2RAB9AELOVL1

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 LMNA 4544/4885ALDH1A1 1724/4885SMN1; SMN2 4282/4885

“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.