SCHEMBL9103271

SCHEMBL9103271

Cc1ccc(N2C(=O)CCC2C(=O)O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC5 Q9UQL6 2/20 0.41
P2RX7 Q99572 5/20 0.41
ACE P12821 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
HTR7 P34969 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9106388 0.82 HTR7 (0.48) P2RX7HTR7
SCHEMBL9106386 0.82 HTR7 (0.48) P2RX7HTR7
SCHEMBL9105409 0.79 P2RX7 (0.44) HDAC1HDAC8HDAC6HDAC5P2RX7
SCHEMBL9106277 0.79 P2RX7 (0.44) HDAC1HDAC8HDAC6HDAC5P2RX7
SCHEMBL9109215 0.77 CCR1 (0.47) HDAC1HDAC8HDAC6HDAC5P2RX7
SCHEMBL9109207 0.77 CCR1 (0.47) HDAC1HDAC8HDAC6HDAC5P2RX7
SCHEMBL9108982 0.76 P2RX7 (0.43) HDAC1HDAC8HDAC6P2RX7TDP1
SCHEMBL9108987 0.76 P2RX7 (0.43) HDAC1HDAC8HDAC6P2RX7TDP1
SCHEMBL9106829 0.75 HTR7 (0.47) TDP1HPGDHTR7L3MBTL1
SCHEMBL9106827 0.75 HTR7 (0.47) TDP1HPGDHTR7L3MBTL1

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 HDAC1 1767/4885HDAC8 2405/4885HDAC6 1750/4885

“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.