SCHEMBL2166485

SCHEMBL2166485

CN1CCN(c2cc(N3CCCC3)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 1.00
HRH3 Q9Y5N1 1/20 0.74
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL607332 0.98 HRH4 (0.96) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL605178 0.98 HRH4 (0.96) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL2167266 0.94 HRH4 (0.89) HRH4HRH3
SCHEMBL2168885 0.86 HRH4 (0.75) HRH4HRH3
SCHEMBL30488018 0.85 HRH4 (1.00) HRH4HRH3
SCHEMBL2169898 0.85 HRH4 (1.00) HRH4HRH3
SCHEMBL5788914 0.85 HRH4 (0.73) HRH4HRH3CRHBPCRHR2SMN1; SMN2
SCHEMBL2166591 0.84 HRH4 (0.73) HRH4HRH3CRHBPCRHR2
SCHEMBL1774506 0.84 HRH4 (0.71) HRH4HRH3
SCHEMBL1616232 0.84 HRH4 (0.72) HRH4HRH3CRHBPCRHR2SMN1; SMN2

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 HRH4 1/4885HRH3 2/4885CRHBP 523/4885

“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.