SCHEMBL4066174

SCHEMBL4066174

ClCc1nc2c(-c3ccccc3)cccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
CNR1 P21554 1/20 0.41
NPY5R Q15761 1/20 0.39
DHODH Q02127 1/20 0.39
METAP2 P50579 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
NUDT1 P36639 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
SCHEMBL23105399 0.84 DDAH1 (0.53) CNR2PIK3CDPIK3CAPIK3CBCNR1
SCHEMBL10693007 0.84 MGAM (0.47) DHODH
SCHEMBL8816584 0.83 GAA (0.57) CNR2PIK3CDPIK3CAPIK3CBGRIN1
SCHEMBL8818793 0.81 ADORA3 (0.51) CNR2PIK3CDPIK3CAPIK3CB
SCHEMBL11019853 0.80 CNR2 (0.46) CNR2PIK3CDPIK3CAPIK3CBCNR1
SCHEMBL5182911 0.80 CNR2 (0.45) CNR2PIK3CDPIK3CAPIK3CBCNR1
SCHEMBL7702980 0.79 NPC1 (0.55)
SCHEMBL9306889 0.78 NPC1 (0.50) CNR2CNR1NPY5RDHODHMETAP2
SCHEMBL1170898 0.78 DHODH (0.54) CNR2CNR1DHODHGRIN2B
Hydrochloric Acid SCHEMBL8814858 0.77 POLB (0.45) CNR2PIK3CDPIK3CAPIK3CB

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
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CNR2 168/4885PIK3CD 4072/4885PIK3CA 3888/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 CNR2 127/4885PIK3CD 3603/4885PIK3CA 3134/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 CNR2 168/4885PIK3CD 4072/4885PIK3CA 3888/4885

“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.