SCHEMBL9891764

SCHEMBL9891764

CC(C)C1CCC(=O)N1c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
ALOX5 P09917 2/20 0.40
PIK3CD O00329 1/20 0.40
SRD5A1 P18405 3/20 0.39
GFER P55789 2/20 0.39
HSD11B1 P28845 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
SCHEMBL9891761 0.86 SRD5A1 (0.35) ALOX5SRD5A1
SCHEMBL9891757 0.84 MDM2 (0.47) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL24434658 0.82 SRD5A1 (0.39) MEN1KMT2AALDH1A1ALOX5SRD5A1
SCHEMBL9891772 0.81 BPTF (0.39) HDAC1HDAC6
SCHEMBL16480422 0.81 ALOX5 (0.46) HDAC1HDAC6MEN1KMT2AL3MBTL1
SCHEMBL9891773 0.79 HDAC1 (0.36) HDAC1HDAC6GFER
SCHEMBL9891763 0.79 CCR1 (0.43) HDAC1HDAC6ALDH1A1MAPTGFER
SCHEMBL9891760 0.78 KMT2A (0.45) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL9891766 0.78 IDO1 (0.38) HDAC1HDAC6MEN1KMT2AGAA
SCHEMBL9891774 0.78 HDAC6 (0.32) HDAC1HDAC6SRD5A1

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 HDAC1 1767/4885HDAC6 1750/4885MEN1 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.