SCHEMBL9103263

SCHEMBL9103263

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 8/20 0.40
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
P2RX7 Q99572 2/20 0.39
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
PTGER2 P43116 2/20 0.38
PTGER3 P43115 1/20 0.38
CNR1 P21554 1/20 0.37
ACE P12821 2/20 0.37
PTGER4 P35408 1/20 0.36

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
SCHEMBL9108343 1.00 PHGDH (0.47) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL9105812 0.85 PHGDH (0.53) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL9105795 0.85 PHGDH (0.53) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL28933730 0.83 TDP1 (0.53) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL9106845 0.83 TDP1 (0.53) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL9106851 0.83 TDP1 (0.53) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL13284935 0.81 ESR1 (0.46) PHGDHTDP1CNR2CYP2C8CYP2C9
SCHEMBL289664 0.81 P2RX7 (0.51) PHGDHTDP1CNR2P2RX7KMT2A
SCHEMBL630463 0.81 P2RX7 (0.51) PHGDHTDP1CNR2P2RX7KMT2A
SCHEMBL289579 0.81 P2RX7 (0.51) PHGDHTDP1CNR2P2RX7KMT2A

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 PHGDH 3135/4885TDP1 4464/4885CNR2 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.