SCHEMBL9103625

SCHEMBL9103625

O=C(O)[C@@H]1CCC(=O)N1c1ccc(F)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.47
ALDH1A1 P00352 2/20 0.43
HSP90AA1 P07900 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
CNR2 P34972 2/20 0.41
KAT2B Q92831 2/20 0.40
PIN1 Q13526 1/20 0.40

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
SCHEMBL9103636 1.00 P2RX7 (0.47) P2RX7ALDH1A1HSP90AA1CYP1A2CYP2D6
SCHEMBL9108816 0.89 P2RX7 (0.47) P2RX7TSHRCNR2
SCHEMBL9108825 0.89 P2RX7 (0.47) P2RX7TSHRCNR2
SCHEMBL9106744 0.89 TSHR (0.52) P2RX7KMT2ATSHRMEN1CNR2
SCHEMBL9106736 0.89 TSHR (0.52) P2RX7KMT2ATSHRMEN1CNR2
SCHEMBL9105586 0.87 NOTUM (0.49) P2RX7ALDH1A1KMT2ATSHRMEN1
SCHEMBL9105576 0.87 NOTUM (0.49) P2RX7ALDH1A1KMT2ATSHRMEN1
SCHEMBL9108353 0.85 KMT2A (0.51) P2RX7ALDH1A1KMT2ATSHRCNR2
SCHEMBL9108362 0.85 KMT2A (0.51) P2RX7ALDH1A1KMT2ATSHRCNR2
SCHEMBL9107363 0.84 TSHR (0.42) P2RX7CYP2C19KMT2ATSHRCNR2

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 9 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
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-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US 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
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
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 P2RX7 26/4885ALDH1A1 3279/4885HSP90AA1 1534/4885

“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.