SCHEMBL4481017

SCHEMBL4481017

O=C(Cc1ccccc1)N1CCN(Cc2ccc(-c3ccccc3Cl)cc2)CC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
TACR1 P25103 6/20 0.48
P2RX7 Q99572 2/20 0.47
TACR2 P21452 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
S1PR5 Q9H228 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
PRCP P42785 1/20 0.42

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
SCHEMBL4477636 0.88 CNR2 (0.58) CNR2TACR1P2RX7TACR2LMNA
SCHEMBL4487562 0.87 CNR2 (0.55) CNR2TACR1P2RX7S1PR5PRCP
SCHEMBL4467170 0.86 CNR2 (0.54) CNR2TACR1P2RX7TACR2S1PR5
SCHEMBL4472304 0.86 CNR2 (0.58) CNR2TACR1TACR2MEN1KMT2A
SCHEMBL4475442 0.85 DPP4 (0.50) CNR2MEN1KMT2ALMNAS1PR5
SCHEMBL4474947 0.85 DPP4 (0.50) CNR2MEN1KMT2ALMNAS1PR5
SCHEMBL13708808 0.85 CNR2 (0.53) CNR2TACR1P2RX7TACR2S1PR5
SCHEMBL4474944 0.85 DPP4 (0.50) CNR2MEN1KMT2ALMNAS1PR5
SCHEMBL4478348 0.84 CNR2 (0.53) CNR2TACR1P2RX7TACR2MEN1
SCHEMBL4475198 0.84 CNR2 (0.53) CNR2TACR1P2RX7TACR2MEN1

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 CNR2 2/4885TACR1 203/4885P2RX7 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.