SCHEMBL9892899

SCHEMBL9892899

CCC(=O)Nc1nnc(C(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
MEN1 O00255 1/20 1.00
CYP1A2 P05177 1/20 1.00
KMT2A Q03164 1/20 1.00
TP53 P04637 1/20 0.62
ALDH1A1 P00352 5/20 0.59
POLB P06746 1/20 0.57
PAX8 Q06710 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA4 P22748 1/20 0.54
CA9 Q16790 1/20 0.54
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
MAPT P10636 3/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL10221538 0.85 SMN1; SMN2 (0.74) SMN1; SMN2MEN1CYP1A2KMT2ATP53
SCHEMBL11515168 0.85 MEN1 (0.73) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL7929897 0.85 MEN1 (0.73) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11515413 0.83 SMN1; SMN2 (0.69) SMN1; SMN2MEN1CYP1A2KMT2ATP53
SCHEMBL6375789 0.81 MEN1 (0.68) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL11518015 0.81 MEN1 (0.68) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL9892978 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL3807415 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL28676132 0.79 SMN1; SMN2 (0.65) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1
SCHEMBL9891528 0.79 KMT2A (0.65) SMN1; SMN2MEN1CYP1A2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 SMN1; SMN2 4282/4885MEN1 4667/4885CYP1A2 338/4885

“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.