SCHEMBL9101917

SCHEMBL9101917

O=C(O)[C@@H]1CCC(=O)N1c1cc(F)cc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.44
CNR2 P34972 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
PHGDH O43175 1/20 0.39
ACE P12821 3/20 0.37
TSHR P16473 1/20 0.36
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 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
SCHEMBL9101928 1.00 P2RX7 (0.44) P2RX7CNR2TDP1PHGDHACE
SCHEMBL9106014 0.87 P2RX7 (0.40) P2RX7CNR2TDP1PHGDHACE
SCHEMBL9107963 0.87 P2RX7 (0.40) P2RX7CNR2TDP1PHGDHACE
SCHEMBL9107221 0.86 P2RX7 (0.51) P2RX7CNR2PHGDHHDAC1HDAC6
SCHEMBL9107234 0.86 P2RX7 (0.51) P2RX7CNR2PHGDHHDAC1HDAC6
SCHEMBL9106851 0.85 TDP1 (0.53) P2RX7CNR2TDP1PHGDHCYP2C8
SCHEMBL9106845 0.85 TDP1 (0.53) P2RX7CNR2TDP1PHGDHCYP2C8
SCHEMBL28933730 0.85 TDP1 (0.53) P2RX7CNR2TDP1PHGDHCYP2C8
SCHEMBL9104394 0.83 P2RX7 (0.46) P2RX7CNR2PHGDHACE
SCHEMBL9104407 0.83 P2RX7 (0.46) P2RX7CNR2PHGDHACE

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 26/4885CNR2 1/4885TDP1 4464/4885

“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.