SCHEMBL4472676

SCHEMBL4472676

O=C(c1ccc(-c2ccccc2C(F)(F)F)cc1)N1CCNC(c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.53
GHSR Q92847 1/20 0.51
SCD5 Q86SK9 1/20 0.43
MGLL Q99685 1/20 0.43
CNR2 P34972 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA9 Q16790 2/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL4476880 0.81 RAB9A (0.65) SLC6A7GHSRSCD5MGLLCNR2
SCHEMBL4473326 0.81 CNR2 (0.63) SLC6A7GHSRSCD5MGLLCNR2
SCHEMBL4472712 0.79 CNR2 (0.61) SLC6A7GHSRSCD5MGLLCNR2
SCHEMBL4469167 0.79 SLC6A7 (0.55) SLC6A7GHSRSCD5CNR2NPC1
SCHEMBL4473476 0.78 HPGD (0.48) NPC1RAB9AATMCA1CA2
SCHEMBL4476032 0.76 CNR2 (0.66) MGLLCNR2ATMKDM4EMEN1
SCHEMBL911362 0.75 SLC6A7 (0.61) SLC6A7GHSRMGLLKDM4EMEN1
SCHEMBL27883950 0.73 RPS6KB1 (0.44) NPC1RAB9AKDM4EALDH1A1SIGMAR1
SCHEMBL22032379 0.72 RPS6KB1 (0.44) NPC1RAB9ACA1CA2CA4
SCHEMBL15103260 0.72 RPS6KB1 (0.44) NPC1RAB9ACA1CA2CA4

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 9 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
EP-1966132-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-10 EP 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
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 WO disclosed
WO-2007070760-A2 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 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-20070191340-A1 Compounds Which Modulate The CB2 Receptor CNR1, CNR2, ARRB1 SLC6A7 3614/4885GHSR 170/4885SCD5 3570/4885

“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.