SCHEMBL4471731

SCHEMBL4471731

CN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.58
TACR1 P25103 8/20 0.50
TACR2 P21452 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MGLL Q99685 1/20 0.41
DPP4 P27487 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
EPHX2 P34913 1/20 0.40
P2RX7 Q99572 1/20 0.40
SLC13A5 Q86YT5 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 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
SCHEMBL4697346 0.92 CNR2 (0.56) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL4483088 0.90 CNR2 (0.60) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL4479887 0.89 CNR2 (0.58) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL4488066 0.88 CNR2 (0.57) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL4480824 0.87 CNR2 (0.59) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL4472304 0.86 CNR2 (0.58) CNR2TACR1TACR2KDM4EMEN1
SCHEMBL13708808 0.86 CNR2 (0.53) CNR2TACR1TACR2MGLLP2RX7
SCHEMBL4466076 0.86 CNR2 (0.52) CNR2KDM4EMEN1KMT2AATM
SCHEMBL4469512 0.85 CNR2 (0.56) CNR2TACR1TACR2KDM4E
SCHEMBL4469970 0.84 MLNR (0.44) CNR2TACR1TACR2MGLLP2RX7

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
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-7595397-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-29 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 US disclosed
US-20070191340-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-16 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 CNR2 2/4885TACR1 203/4885TACR2 87/4885

“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.