SCHEMBL2166340

SCHEMBL2166340

COc1cc(OCCCN2CCN(C)CC2)ccc1-c1nc2ccccc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 10/20 0.70
DRD2 P14416 8/20 0.62
HRH4 Q9H3N8 7/20 0.58
HRH3 Q9Y5N1 1/20 0.53
FGFR1 P11362 1/20 0.52
FLT1 P17948 1/20 0.52
SRC P12931 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL602191 0.87 HRH4 (0.75) DRD3DRD2HRH4HRH3ACHE
SCHEMBL603847 0.85 HRH4 (0.58) DRD3DRD2HRH4HRH3
SCHEMBL601512 0.82 DRD3 (1.00) DRD3DRD2HRH4ACHE
SCHEMBL603781 0.82 DRD3 (0.78) DRD3DRD2HRH4ACHE
SCHEMBL3337825 0.78 PDE2A (0.66)
SCHEMBL9006364 0.77 DRD3 (1.00) DRD3DRD2ACHE
SCHEMBL10745905 0.77 AMY1A (0.53)
SCHEMBL602147 0.77 HRH4 (0.71) DRD3DRD2HRH4HRH3ACHE
SCHEMBL604153 0.76 HRH4 (0.75) DRD3DRD2HRH4ACHE
SCHEMBL601426 0.76 HRH4 (0.76) DRD3DRD2HRH4HRH3FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7985745-B2 Including inflammatory pain, post surgical pain, and neuropathic pain; administering a histamine H4 receptor ligand alone or in combination with a histamine H1, H2, or H3 receptor antagonist or an enzyme inhibitor ABBOTT LABORATORIES (US) 2011-07-26 US disclosed
US-20080194538-A1 Method for Pain Treatment ABBVIE INC. 2008-08-14 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 DRD3 805/4885DRD2 683/4885HRH4 1/4885

“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.