SCHEMBL3715822

SCHEMBL3715822

O=C(O)C1CCC(=O)N1c1ccc(C(F)(F)F)c(F)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
LCAT P04180 1/20 0.37
P2RX7 Q99572 12/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC1 Q13547 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL3715821 1.00 POLQ (0.38) POLQCNR1CNR2LCATP2RX7
SCHEMBL9892321 0.84 HDAC6 (0.52) POLQCNR1CNR2P2RX7HDAC6
SCHEMBL9893130 0.81 LCAT (0.37) POLQLCATHDAC6HDAC1HDAC8
SCHEMBL9891762 0.78 IDH1 (0.39) LCAT
SCHEMBL3706775 0.77 POLQ (0.37) POLQCNR1CNR2P2RX7HDAC6
SCHEMBL3706772 0.77 POLQ (0.37) POLQCNR1CNR2P2RX7HDAC6
SCHEMBL9106063 0.76 CNR2 (0.58) POLQCNR1CNR2HDAC6HDAC1
SCHEMBL9106074 0.76 CNR2 (0.58) POLQCNR1CNR2HDAC6HDAC1
SCHEMBL2572806 0.75 CNR2 (0.71) CNR1CNR2HDAC6
SCHEMBL2571390 0.74 CNR2 (0.41) CNR1CNR2P2RX7HDAC6HDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2384320-B1 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2015-03-04 EP disclosed
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
WO-2010077836-A2 PYRROLIDINE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-08 WO 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 POLQ 3314/4885CNR1 2/4885CNR2 1/4885

“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.