SCHEMBL4469167

SCHEMBL4469167

CN1CCN(C(=O)c2ccc(-c3ccccc3C(F)(F)F)cc2)CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.55
GHSR Q92847 1/20 0.53
P2RX7 Q99572 1/20 0.52
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
POLB P06746 1/20 0.43
SCD5 Q86SK9 1/20 0.43
CNR2 P34972 3/20 0.43
EIF4A3 P38919 2/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL4650203 0.88 P2RX7 (0.51) SLC6A7GHSRP2RX7POLBEIF4A3
SCHEMBL4476880 0.81 RAB9A (0.65) SLC6A7GHSRSCD5CNR2ALDH1A1
SCHEMBL4473326 0.81 CNR2 (0.63) SLC6A7GHSRSCD5CNR2ALDH1A1
SCHEMBL4472676 0.79 SLC6A7 (0.53) SLC6A7GHSRKDM1AMAOASCD5
SCHEMBL4472712 0.79 CNR2 (0.61) SLC6A7GHSRSCD5CNR2DPP4
SCHEMBL911362 0.77 SLC6A7 (0.61) SLC6A7GHSRPOLBKDM4EALDH1A1
SCHEMBL4476107 0.76 CNR2 (0.66) KDM1AMAOACNR2KDM4EALDH1A1
SCHEMBL3274315 0.73 P2RX7 (0.55) P2RX7KDM1AMAOAPOLBKDM4E
SCHEMBL17707609 0.73 P2RX7 (0.55) P2RX7KDM4EALDH1A1CYP2C9HSP90AA1
SCHEMBL27906099 0.72 P2RX7 (0.66) P2RX7POLBKDM4EALDH1A1HSP90AA1

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 7 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
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 170/4885P2RX7 196/4885

“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.