SCHEMBL9891741

SCHEMBL9891741

CNC(=O)c1cccc(N2C(=O)CCC2C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
MLYCD O95822 1/20 0.38

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
SCHEMBL9891738 0.85 GAA (0.50) KMT2ARAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL9891740 0.85 HDAC6 (0.42) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL16480412 0.84 MEN1 (0.57) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL9891742 0.83 PMM2 (0.43) MEN1KMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2570464 0.81 MEN1 (0.55) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL2570466 0.81 MEN1 (0.55) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL9893047 0.81 MEN1 (0.54) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL9891736 0.75 ALDH1A1 (0.41) MEN1KMT2AHDAC8HDAC6RAB9A
SCHEMBL2587335 0.74 CNR2 (0.68)
SCHEMBL9891737 0.73 NSD2 (0.45)

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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 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 MEN1 4874/4885KMT2A 3551/4885HDAC8 2405/4885

“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.