SCHEMBL4474465

SCHEMBL4474465

Cc1ccc(Cl)c(-c2ccc(CN3CCN(C4CCCCC4)C(c4ccccc4)C3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.60
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
CCR5 P51681 6/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
CXCR3 P49682 1/20 0.40
PDE2A O00408 1/20 0.39
MCL1 Q07820 1/20 0.38
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL4472554 0.88 CNR2 (0.55) CNR2CCR5GAALMNAPOLB
SCHEMBL4481389 0.86 CNR2 (0.54) CNR2ALDH1A1PKMHTTGAA
SCHEMBL4472224 0.84 CNR2 (0.66) CNR2ALDH1A1LMNAPOLBPDE2A
SCHEMBL4475472 0.83 CNR2 (0.56) CNR2ALDH1A1PKMCCR5POLB
SCHEMBL4477428 0.82 CNR2 (0.64) CNR2ALDH1A1LMNAPOLB
SCHEMBL14495607 0.81 CNR2 (0.63) CNR2ALDH1A1LMNAPOLBPDE2A
SCHEMBL4482477 0.81 CNR2 (0.63) CNR2ALDH1A1PKMLMNAPOLB
SCHEMBL4475739 0.81 CNR2 (0.67) CNR2PDE2ACYP2D6MEN1KMT2A
SCHEMBL4481910 0.80 CNR2 (0.61) CNR2ALDH1A1HTT
SCHEMBL4466232 0.80 CNR2 (0.61) CNR2ALDH1A1PKMLMNAPOLB

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 2/4885ALDH1A1 2612/4885PKM 4039/4885

“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.