SCHEMBL4894189

SCHEMBL4894189

c1ccc(CN2CCN(c3cc(NCc4nc5ccccc5[nH]4)ncn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.53
DRD4 P21917 13/20 0.53
DRD2 P14416 2/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
OPRK1 P41145 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
PIK3CB P42338 1/20 0.51
GRM2 Q14416 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
PRCP P42785 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45
GAA P10253 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45

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
SCHEMBL14005279 0.84 DRD4 (0.48) HRH4DRD4DRD2KDM4EALDH1A1
SCHEMBL14005285 0.83 HRH4 (0.54) HRH4DRD4DRD2KDM4EALDH1A1
SCHEMBL14005284 0.83 DRD4 (0.50) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4896185 0.83 HRH4 (0.75) HRH4KDM4ECYP3A4ALOX15PIK3CB
SCHEMBL5626446 0.76 DRD4 (0.74) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4436381 0.73 BCHE (0.61) DRD4DRD2KDM4EALDH1A1NPC1
SCHEMBL9202923 0.72 HTT (0.76) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL5029686 0.72 PIK3CB (0.80) HRH4ALDH1A1CYP3A4ALOX15PIK3CB
SCHEMBL25505695 0.72 DRD4 (0.63) DRD4DRD2KDM4EALDH1A1CYP3A4
SCHEMBL4896683 0.71 HRH4 (0.51) HRH4DRD4KDM4ESIGMAR1PIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US 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 1565/4885DRD4 4184/4885DRD2 4070/4885

“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.