SCHEMBL5481422

SCHEMBL5481422

c1csc(CN2CCC(OCc3c[nH]cn3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
DRD4 P21917 7/20 0.40
DRD3 P35462 4/20 0.40
DRD2 P14416 3/20 0.40
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PARP1 P09874 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 1/20 0.38
DRD5 P21918 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL606861 0.87 ALDH1A1 (0.40) HTTJAK2JAK1TYK2JAK3
SCHEMBL5792724 0.83 DRD4 (0.41) DRD4DRD3DRD2SIGMAR1SMN1; SMN2
SCHEMBL14445598 0.81 CARM1 (0.39) DRD4DRD3DRD2SIGMAR1
SCHEMBL606416 0.81 JAK2 (0.41) JAK2JAK1JAK3DRD4DRD3
SCHEMBL606822 0.81 SIGMAR1 (0.36) DRD4DRD3SIGMAR1ALDH1A1
SCHEMBL606578 0.81 JAK2 (0.42) JAK2JAK1JAK3DRD4DRD3
SCHEMBL605229 0.81 SIGMAR1 (0.36) DRD4DRD3SIGMAR1ALDH1A1
SCHEMBL606660 0.81 JAK2 (0.42) JAK2JAK1TYK2JAK3DRD4
SCHEMBL603498 0.80 KDM4E (0.42) DRD4DRD3SIGMAR1ALDH1A1KDM4E
SCHEMBL604720 0.80 SIGMAR1 (0.40) DRD4DRD3CHRM2CHRM3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists ASTRAZENECA AB (SE) 2007-08-09 US claimed
EP-1651634-A1 IMIDAZOL DERIVATIVES OF PIPERIDINE AS HISTAMINE ANTAGONISTS AstraZeneca AB (SE) 2006-05-03 EP claimed
WO-2005014579-A1 IMIDAZOL DERIVATIVES OF PIPERDINE AS HISTAMINE ANTAGONISTS ASTRAZENECA AB (SE) 2005-02-17 WO claimed
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists ASTRAZENECA AB (SE) 2007-08-09 US disclosed
US-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists ASTRAZENECA AB (SE) 2007-08-09 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-20070185163-A1 Imidazol derivatives of piperidine as histamine antagonists HRH2, HRH1, HRH4 HTT 2824/4885JAK2 385/4885JAK1 742/4885

“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.