SCHEMBL6984473

SCHEMBL6984473

N#Cc1cccc(N2C(=O)CCC2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
IDH1 O75874 1/20 0.44
ALOX5 P09917 1/20 0.43
P2RX7 Q99572 2/20 0.42
CNR2 P34972 1/20 0.42
NSD2 O96028 1/20 0.42
METAP1 P53582 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
FADS1 O60427 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR2 O15552 1/20 0.39

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
SCHEMBL9105102 1.00 NOTUM (0.53) NOTUMIDH1ALOX5P2RX7CNR2
SCHEMBL7123162 0.88 NOTUM (0.46) NOTUMIDH1ALOX5P2RX7CNR2
SCHEMBL7123171 0.88 NOTUM (0.46) NOTUMIDH1ALOX5P2RX7CNR2
SCHEMBL9109062 0.83 CNR2 (0.53) P2RX7CNR2FFAR2
SCHEMBL9109050 0.83 CNR2 (0.53) P2RX7CNR2FFAR2
SCHEMBL9107908 0.81 P2RX7 (0.54) NOTUMP2RX7
SCHEMBL9107918 0.81 P2RX7 (0.54) NOTUMP2RX7
SCHEMBL9340692 0.81 KDM4E (0.45) P2RX7KMT2A
SCHEMBL289664 0.80 P2RX7 (0.51) NOTUMP2RX7CNR2KMT2A
SCHEMBL289579 0.80 P2RX7 (0.51) NOTUMP2RX7CNR2KMT2A

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 6 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
US-20030176465-A1 Cyclic amino acid derivatives MERCK PATENT GMBH (DE) 2003-09-18 US disclosed
EP-1301506-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-16 EP disclosed
WO-2002006269-A1 CYCLIC AMINO ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-24 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 (2 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-20030176465-A1 Cyclic amino acid derivatives F5, F11, F2 NOTUM 4067/4885IDH1 2542/4885ALOX5 441/4885
US-20120142677-A1 Pyrrolidine Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 NOTUM 2241/4885IDH1 4245/4885ALOX5 898/4885

“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.