SCHEMBL4469970

SCHEMBL4469970

CN(C)C(=O)N1CCN(Cc2ccc(-c3ccccc3CCl)cc2)CC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLNR O43193 8/20 0.44
TACR1 P25103 4/20 0.43
CYP3A4 P08684 5/20 0.42
MGLL Q99685 1/20 0.42
P2RX7 Q99572 1/20 0.41
CNR2 P34972 2/20 0.40
TACR2 P21452 1/20 0.40
DRD4 P21917 1/20 0.40
ALDH1A1 P00352 1/20 0.39
GRM2 Q14416 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
SCHEMBL13708808 0.88 CNR2 (0.53) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL4471731 0.84 CNR2 (0.58) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL4472734 0.82 CNR2 (0.59) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL14495478 0.79 P2RX7 (0.45) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL4487562 0.77 CNR2 (0.55) TACR1MGLLP2RX7CNR2GRM2
SCHEMBL4697346 0.76 CNR2 (0.56) MLNRTACR1CYP3A4P2RX7CNR2
SCHEMBL4475198 0.75 CNR2 (0.53) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL4478348 0.75 CNR2 (0.53) TACR1MGLLP2RX7CNR2TACR2
SCHEMBL4475991 0.75 CNR2 (0.58) CNR2
SCHEMBL4467170 0.74 CNR2 (0.54) TACR1MGLLP2RX7CNR2TACR2

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 4 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
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
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 MLNR 676/4885TACR1 203/4885CYP3A4 1201/4885

“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.