SCHEMBL4896683

SCHEMBL4896683

c1ccc(CN2CCN(c3cc(NC(c4ccccc4)c4ccccc4)ncn3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
PIK3CB P42338 1/20 0.48
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 1/20 0.46
CASP5 P51878 1/20 0.46
ACHE P22303 4/20 0.44
DRD4 P21917 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
BACE1 P56817 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
SCHEMBL4787976 0.88 HTR7 (0.53) HRH4NPC1RAB9APIK3CBCASP1
SCHEMBL4888066 0.88 HTR7 (0.53) HRH4NPC1RAB9APIK3CBCASP1
SCHEMBL4896185 0.81 HRH4 (0.75) HRH4NPC1RAB9APIK3CBKDM4E
SCHEMBL4786499 0.77 NPC1 (0.55) NPC1RAB9ACASP1CASP5ACHE
SCHEMBL14005286 0.75 HRH4 (0.47) HRH4NPC1RAB9APIK3CBKDM4E
SCHEMBL12321054 0.73 FAAH (0.54) HRH4RAB9AKDM4EACHEHTT
SCHEMBL14005285 0.72 HRH4 (0.54) HRH4NPC1RAB9APIK3CBKDM4E
SCHEMBL4894189 0.71 HRH4 (0.53) HRH4NPC1RAB9APIK3CBKDM4E
SCHEMBL20241743 0.71 KDM4E (0.49) HRH4KDM4EACHEDRD4
SCHEMBL5029686 0.69 PIK3CB (0.80) HRH4NPC1RAB9APIK3CBACHE

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-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

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 HRH4 1565/4885NPC1 363/4885RAB9A 1363/4885

“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.