SCHEMBL9105776

SCHEMBL9105776

O=C(O)[C@@H]1CCC(=O)N1c1ccc(Cl)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.43
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR2 P34972 5/20 0.39
CNR1 P21554 2/20 0.39
DEGS1 O15121 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
RECQL P46063 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL9110156 1.00 P2RX7 (0.43) P2RX7GAAGPR55MAPTKDM4E
SCHEMBL2571392 0.83 CNR2 (0.41) P2RX7ALDH1A1CNR2CNR1
SCHEMBL9107192 0.83 NPC1 (0.44) KDM4ECNR2CNR1TSHRSMN1; SMN2
SCHEMBL2571390 0.83 CNR2 (0.41) P2RX7ALDH1A1CNR2CNR1
SCHEMBL9107658 0.83 NPC1 (0.44) KDM4ECNR2CNR1TSHRSMN1; SMN2
SCHEMBL3710013 0.81 P2RX7 (0.39) P2RX7CNR2
SCHEMBL3710014 0.81 P2RX7 (0.39) P2RX7CNR2
SCHEMBL9103419 0.80 CNR2 (0.57) KDM4EALDH1A1CNR2CNR1
SCHEMBL9108258 0.80 IDH1 (0.43) GAAMAPTKDM4EALDH1A1NPSR1
SCHEMBL9106063 0.80 CNR2 (0.58) MAPTKDM4EALDH1A1CNR2CNR1

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 P2RX7 26/4885GAA 4474/4885GPR55 11/4885

“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.