SCHEMBL4786499

SCHEMBL4786499

Clc1cc(N2CCN(Cc3ccccc3)CC2)ncn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
CASP1 P29466 1/20 0.55
CASP5 P51878 1/20 0.55
SIGMAR1 Q99720 4/20 0.53
DRD4 P21917 3/20 0.53
PRCP P42785 1/20 0.49
MAPT P10636 2/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
ALDH1A1 P00352 3/20 0.48
NPBWR1 P48145 1/20 0.48
MCHR1 Q99705 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL4896185 0.80 HRH4 (0.75) NPC1RAB9ACASP1CASP5MAPT
SCHEMBL16755990 0.79 MAPT (0.51) NPC1PRCPMAPTHTTLMNA
SCHEMBL30818866 0.78 HTT (0.49) NPC1RAB9AHTTALDH1A1
SCHEMBL2804769 0.77 CASP1 (0.59) NPC1RAB9ACASP1CASP5SIGMAR1
SCHEMBL27737307 0.77 CASP1 (0.59) NPC1RAB9ACASP1CASP5SIGMAR1
SCHEMBL4896683 0.77 HRH4 (0.51) NPC1RAB9ACASP1CASP5SIGMAR1
SCHEMBL27737461 0.76 CASP1 (0.58) NPC1RAB9ACASP1CASP5SIGMAR1
SCHEMBL12668373 0.76 HRH4 (0.60) NPC1RAB9ACASP1CASP5DRD4
SCHEMBL14134669 0.76 JAK2 (0.46) MAPTHTTLMNAALDH1A1DRD2
SCHEMBL7146756 0.76 VEGFA (0.63) NPC1RAB9ACASP1CASP5SIGMAR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
EP-0844877-B1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ASTRAZENECA AB (SE) 2005-01-26 EP disclosed
EP-0925286-B1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ASTRAZENECA AB (SE) 2003-01-02 EP disclosed
US-6093718-A AN OXIDO-SQUALENE CYCLASE INHIBITOR, ANTICHOLESTEROL AGENT FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND LOWERING CHOLESTEROL LEVELS IN BLOOD PLASMA; TREATING HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ZENECA LIMITED (GB) 2000-07-25 US disclosed
US-6090813-A Use of oxido-squalene cyclase inhibitors to lower blood cholesterol ZENECA LIMITED (GB) 2000-07-18 US disclosed
CN-1228087-A Substituted pyrimidine derivatives and their pharmaceutical use ZENECA LTD (GB) 1999-09-08 CN disclosed
EP-0925286-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1999-06-30 EP disclosed
CN-1193276-A Use of oxido-squalene cyclase inhibitors for lowering cholesterol in blood ZENECA LTD (GB) 1998-09-16 CN disclosed
EP-0844877-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1998-06-03 EP disclosed
WO-1998006705-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AND THEIR PHARMACEUTICAL USE ZENECA LIMITED (GB) 1998-02-19 WO disclosed
WO-1997006802-A1 USE OF OXIDO-SQUALENE CYCLASE INHIBITORS TO LOWER BLOOD CHOLESTEROL ZENECA LIMITED (GB) 1997-02-27 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 NPC1 363/4885RAB9A 1363/4885CASP1 3285/4885

“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.