SCHEMBL9105586

SCHEMBL9105586

O=C(O)C1CCC(=O)N1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
P2RX7 Q99572 5/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.42
ADAM17 P78536 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CNR2 P34972 1/20 0.41
PHGDH O43175 1/20 0.41
KMO O15229 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
SCHEMBL9105576 1.00 NOTUM (0.49) NOTUMSLC6A2SLC6A4SLC6A3P2RX7
SCHEMBL9108353 0.89 KMT2A (0.51) NOTUMP2RX7TSHRKMT2AALDH1A1
SCHEMBL9108362 0.89 KMT2A (0.51) NOTUMP2RX7TSHRKMT2AALDH1A1
SCHEMBL9104736 0.87 CCR1 (0.47) P2RX7KMT2ACNR2PHGDH
SCHEMBL9104742 0.87 CCR1 (0.47) P2RX7KMT2ACNR2PHGDH
SCHEMBL9103625 0.87 P2RX7 (0.47) P2RX7MEN1GAATSHRKMT2A
SCHEMBL9108825 0.87 P2RX7 (0.47) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9108816 0.87 P2RX7 (0.47) P2RX7TSHRHDAC1HDAC8HDAC6
SCHEMBL9103636 0.87 P2RX7 (0.47) P2RX7MEN1GAATSHRKMT2A
SCHEMBL2572998 0.83 CNR2 (0.52) NOTUMP2RX7CNR2PHGDH

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 3 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-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 US 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 NOTUM 2241/4885SLC6A2 2741/4885SLC6A4 2426/4885

“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.