SCHEMBL9891740

SCHEMBL9891740

CNC(=O)c1ccc(N2C(=O)CCC2C(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
PTGER3 P43115 1/20 0.40
PTGER2 P43116 1/20 0.40
CNR2 P34972 6/20 0.39
P2RX3 P56373 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9891741 0.85 MEN1 (0.54) HDAC6HDAC8MEN1KMT2ATSHR
SCHEMBL16480487 0.82 HDAC2 (0.46) HDAC6HDAC2HDAC8P2RX3MEN1
SCHEMBL9103589 0.81 PHGDH (0.47) HDAC6HDAC2HDAC8PTGER3PTGER2
SCHEMBL9103598 0.81 PHGDH (0.47) HDAC6HDAC2HDAC8PTGER3PTGER2
SCHEMBL9891743 0.80 PTGER2 (0.36) HDAC6HDAC8PTGER3PTGER2CNR2
SCHEMBL16542445 0.78 HDAC2 (0.42) HDAC6HDAC2HDAC8CNR2MEN1
SCHEMBL9892983 0.78 PTGER2 (0.46) HDAC6HDAC2HDAC8PTGER3PTGER2
SCHEMBL9891747 0.77 CNR2 (0.47) HDAC6HDAC8PTGER3PTGER2CNR2
SCHEMBL9891746 0.77 CNR2 (0.45) PTGER3PTGER2CNR2MEN1KMT2A
SCHEMBL9891736 0.76 ALDH1A1 (0.41) HDAC6HDAC8PTGER3PTGER2MEN1

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 HDAC6 1750/4885HDAC2 1278/4885HDAC8 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.