SCHEMBL9891736

SCHEMBL9891736

CC(C)(C)C1CCC(=O)N1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.41
NOTUM Q6P988 1/20 0.39
SRD5A1 P18405 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
LOX P28300 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MT-CO2 P00403 1/20 0.37
ALOX5 P09917 1/20 0.37
P2RX7 Q99572 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9891746 0.83 CNR2 (0.45) ALDH1A1PTGER3PTGER2MEN1KMT2A
SCHEMBL9891747 0.81 CNR2 (0.47) ALDH1A1NOTUMSRD5A1PTGER3PTGER2
SCHEMBL9891743 0.81 PTGER2 (0.36) ALDH1A1PTGER3PTGER2NPC1RAB9A
SCHEMBL18409027 0.81 PTGER2 (0.39) ALDH1A1ATMNOTUMPTGER3PTGER2
SCHEMBL9891733 0.80 CNR2 (0.47) PTGER3PTGER2
SCHEMBL9891735 0.80 CNR2 (0.48) HDAC1HDAC8HDAC6
SCHEMBL9891737 0.78 NSD2 (0.45) NOTUMALOX5
SCHEMBL609915 0.77 NOTUM (0.42) ALDH1A1NOTUMSRD5A1MT-CO2ALOX5
SCHEMBL24717003 0.76 HDAC1 (0.40) HDAC1HDAC8HDAC6
SCHEMBL9891740 0.76 HDAC6 (0.42) PTGER3PTGER2NPC1RAB9AMEN1

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 ALDH1A1 3279/4885ATM 4704/4885NOTUM 2241/4885

“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.