SCHEMBL9891774

SCHEMBL9891774

CC(C)C1CCC(=O)N1c1cc(F)c(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.32
KAT2B Q92831 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
IDH1 O75874 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
SRD5A1 P18405 3/20 0.31
RPS6KA6 Q9UK32 1/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL9891761 0.87 SRD5A1 (0.35) IDH1SRD5A1CNR2
SCHEMBL9891772 0.85 BPTF (0.39) HDAC6HDAC1HDAC8CNR2
SCHEMBL9891763 0.82 CCR1 (0.43) HDAC6HDAC1HDAC8
SCHEMBL9891766 0.81 IDO1 (0.38) HDAC6HDAC1HDAC8IDH1
SCHEMBL9891773 0.80 HDAC1 (0.36) HDAC6HDAC1HDAC8IDH1
SCHEMBL9891768 0.79 HTR7 (0.40)
SCHEMBL16480453 0.79 PARP1 (0.39) KAT2BP2RX3P2RX2
SCHEMBL9891760 0.79 KMT2A (0.45) KAT2B
SCHEMBL9891769 0.78 AR (0.40)
SCHEMBL9891764 0.78 HDAC1 (0.43) HDAC6HDAC1SRD5A1

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
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
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 1750/4885KAT2B 3445/4885HDAC1 1767/4885

“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.