SCHEMBL4896185

SCHEMBL4896185

c1ccc(CNc2cc(N3CCN(Cc4ccccc4)CC3)ncn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.75
PIK3CB P42338 1/20 0.71
METTL3 Q86U44 5/20 0.55
ACHE P22303 4/20 0.54
CASP1 P29466 1/20 0.52
CASP5 P51878 1/20 0.52
HUWE1 Q7Z6Z7 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 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
SCHEMBL5029686 0.88 PIK3CB (0.80) HRH4PIK3CBMETTL3ACHENPC1
SCHEMBL14005285 0.84 HRH4 (0.54) HRH4PIK3CBMETTL3ACHECASP1
SCHEMBL14005278 0.83 HRH4 (0.73) HRH4PIK3CBMETTL3ACHEMAPK1
SCHEMBL5029684 0.83 PIK3CB (1.00) HRH4PIK3CBACHENPC1RAB9A
SCHEMBL4894189 0.83 HRH4 (0.53) HRH4PIK3CBNPC1RAB9AKDM4E
SCHEMBL4896683 0.81 HRH4 (0.51) HRH4PIK3CBACHECASP1CASP5
SCHEMBL4888066 0.80 HTR7 (0.53) HRH4PIK3CBMETTL3CASP1CASP5
SCHEMBL4787976 0.80 HTR7 (0.53) HRH4PIK3CBMETTL3CASP1CASP5
SCHEMBL4786499 0.80 NPC1 (0.55) ACHECASP1CASP5NPC1RAB9A
SCHEMBL14005277 0.78 HRH4 (0.65) HRH4PIK3CBMETTL3ACHENPC1

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 1565/4885PIK3CB 1550/4885METTL3 4810/4885

“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.