SCHEMBL2167337

SCHEMBL2167337

Nc1cc(-c2ccc(Cl)c(Cl)c2)cc(N2C[C@H]3CCCN[C@H]3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.43
HTR3A P46098 1/20 0.38
CHRNB2 P17787 6/20 0.34
CHRNB4 P30926 6/20 0.34
CHRNA3 P32297 6/20 0.34
CHRNA4 P43681 6/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33

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
SCHEMBL2167220 0.84 HRH4 (0.46) HRH4HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL2165512 0.79 HRH4 (0.40) HRH4HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL603123 0.75 HRH4 (0.62) HRH4HTR3A
SCHEMBL2166466 0.75 HRH4 (0.43) HRH4HTR3ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL605981 0.74 HRH4 (0.61) HRH4HTR3A
SCHEMBL17198089 0.68 BPTF (0.51) HRH4HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL651864 0.66 CHRNB2 (0.71) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL651863 0.66 CHRNB2 (0.71) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12425692 0.66 HRH4 (0.50) HRH4CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL651862 0.66 CHRNB2 (0.71) HRH4CHRNB2CHRNB4CHRNA3CHRNA4

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 1/4885HTR3A 86/4885CHRNB2 196/4885

“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.