SCHEMBL9108816

SCHEMBL9108816

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.47
TSHR P16473 1/20 0.42
STING1 Q86WV6 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC5 Q9UQL6 2/20 0.40
F10 P00742 1/20 0.39
PHGDH O43175 1/20 0.39
CNR2 P34972 3/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9108825 1.00 P2RX7 (0.47) P2RX7TSHRSTING1HDAC1HDAC8
SCHEMBL9103636 0.89 P2RX7 (0.47) P2RX7TSHRCNR2
SCHEMBL9103625 0.89 P2RX7 (0.47) P2RX7TSHRCNR2
SCHEMBL9106744 0.89 TSHR (0.52) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9106736 0.89 TSHR (0.52) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9105586 0.87 NOTUM (0.49) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9105576 0.87 NOTUM (0.49) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9109207 0.84 CCR1 (0.47) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9109215 0.84 CCR1 (0.47) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL13285326 0.84 TSHR (0.45) P2RX7TSHRHDAC1HDAC8HDAC6

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 26/4885TSHR 1003/4885STING1 2050/4885

“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.