SCHEMBL9893167

SCHEMBL9893167

CCC(=O)Nc1cc(C(C)(C)C)ns1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK14 Q16539 2/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
ADORA3 P0DMS8 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
NR4A1 P22736 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL9893042 0.81 GAA (0.42) SMN1; SMN2KMT2AMEN1MAPK14RAB9A
SCHEMBL11121488 0.81 SMARCA2 (0.40) SMN1; SMN2KMT2AMEN1MAPK14RAB9A
SCHEMBL11119728 0.80 ABCC1 (0.38) SMN1; SMN2RAB9ANPC1RPS6KA2KDM4E
SCHEMBL11117030 0.79 RPS6KA2 (0.36) MAPK14RAB9ARPS6KA2SMARCA2SMARCA4
SCHEMBL11119552 0.79 ALDH1A1 (0.50) SMN1; SMN2KMT2AMEN1CYP1A2MAPK14
SCHEMBL11668320 0.78 SMARCA2 (0.47) SMN1; SMN2KMT2AMEN1CYP1A2RAB9A
SCHEMBL11119842 0.77 SMARCA2 (0.39) KMT2AMEN1HTTRPS6KA2KDM4E
SCHEMBL11119034 0.75 NPY5R (0.41) RPS6KA2SMARCA2SMARCA4ALDH1A1
SCHEMBL11121539 0.73 PIK3CD (0.46) SMN1; SMN2KMT2AMEN1RAB9ANPC1
SCHEMBL11116634 0.73 RPS6KA2 (0.36) KMT2AMEN1RPS6KA2MAPTSMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 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-20120142677-A1 Pyrrolidine Compounds 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 SMN1; SMN2 4659/4885KMT2A 3551/4885MEN1 4874/4885

“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.