SCHEMBL9104331

SCHEMBL9104331

O=C(O)[C@@H]1CCC(=O)N1c1ccc(CF)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.41
PHGDH O43175 1/20 0.41
PTGER2 P43116 2/20 0.40
PTGER3 P43115 1/20 0.40
PTGDR Q13258 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HDAC6 Q9UBN7 3/20 0.39
CNR2 P34972 4/20 0.38
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CNR1 P21554 1/20 0.37
ACE P12821 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9106669 1.00 P2RX7 (0.41) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL3805887 0.87 PHGDH (0.41) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL9105521 0.85 ALDH1A1 (0.46) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL13284548 0.85 PHGDH (0.41) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL9105511 0.85 ALDH1A1 (0.46) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL9106851 0.83 TDP1 (0.53) P2RX7PHGDHPTGER2PTGER3TDP1
SCHEMBL28933730 0.83 TDP1 (0.53) P2RX7PHGDHPTGER2PTGER3TDP1
SCHEMBL9106845 0.83 TDP1 (0.53) P2RX7PHGDHPTGER2PTGER3TDP1
SCHEMBL9106824 0.82 PTGER2 (0.44) P2RX7PHGDHPTGER2PTGER3PTGDR
SCHEMBL2568393 0.82 PTGER2 (0.44) P2RX7PHGDHPTGER2PTGER3PTGDR

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 8 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-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 26/4885PHGDH 3135/4885PTGER2 186/4885

“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.