SCHEMBL14005286

SCHEMBL14005286

O=S(=O)(NNc1cc(N2CCN(Cc3ccccc3)CC2)ncn1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.47
HTR7 P34969 1/20 0.46
DRD2 P14416 1/20 0.46
PIK3CB P42338 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CASP1 P29466 1/20 0.43
CASP5 P51878 1/20 0.43
THRB P10828 1/20 0.42
TP53 P04637 2/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPBWR1 P48145 1/20 0.41

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 0.78 HRH4 (0.75) HRH4PIK3CBMAPTNPC1RAB9A
SCHEMBL4896683 0.75 HRH4 (0.51) HRH4PIK3CBMAPTNPC1RAB9A
SCHEMBL4888066 0.73 HTR7 (0.53) HRH4HTR7PIK3CBNPC1RAB9A
SCHEMBL4787976 0.73 HTR7 (0.53) HRH4HTR7PIK3CBNPC1RAB9A
SCHEMBL4786499 0.73 NPC1 (0.55) DRD2MAPTNPC1RAB9ACASP1
SCHEMBL14005273 0.72 SMN1; SMN2 (0.52) NPC1RAB9ACASP1CASP5SMN1; SMN2
SCHEMBL2625885 0.69 SCN9A (0.50) HTR7DRD2MAPTLMNASMN1; SMN2
SCHEMBL14005285 0.69 HRH4 (0.54) HRH4DRD2PIK3CBMAPTNPC1
SCHEMBL4894189 0.68 HRH4 (0.53) HRH4DRD2PIK3CBNPC1RAB9A
SCHEMBL5029686 0.66 PIK3CB (0.80) HRH4PIK3CBNPC1RAB9ATP53

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 3 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
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 1565/4885HTR7 3102/4885DRD2 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.