SCHEMBL2166466

SCHEMBL2166466

Nc1cc(-c2cccc3ccccc23)cc(N2C[C@H]3CCCN[C@H]3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.43
HTR3A P46098 1/20 0.37
PARP1 P09874 1/20 0.32
PTPN11 Q06124 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PRKD3 O94806 1/20 0.31
PRKD1 Q15139 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31

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 0.83 HRH4 (0.46) HRH4HTR3A
SCHEMBL606082 0.76 HRH4 (0.61) HRH4HTR3APTPN11
SCHEMBL2165512 0.76 HRH4 (0.40) HRH4HTR3ASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL606215 0.76 HRH4 (0.60) HRH4HTR3APTPN11
SCHEMBL2167337 0.75 HRH4 (0.43) HRH4HTR3ASLC6A2SLC6A4SLC6A3
SCHEMBL696516 0.75 HTR3A (0.48) HRH4HTR3APARP1SLC6A2SLC6A4
SCHEMBL697603 0.75 HTR3A (0.48) HRH4HTR3APARP1SLC6A2SLC6A4
SCHEMBL698754 0.75 HTR3A (0.48) HRH4HTR3APARP1SLC6A2SLC6A4
SCHEMBL17198089 0.71 BPTF (0.51) HRH4HTR3A
SCHEMBL29644565 0.71 CA12 (0.47)

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-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
WO-2008060766-A2 HISTAMINE H4 RECEPTOR LIGANDS FOR USE IN PAIN TREATMENT ABBOTT LABORATORIES (US) 2008-05-22 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-20080194538-A1 Method for Pain Treatment HRH4, HRH3, HRH2 HRH4 1/4885HTR3A 86/4885PARP1 2932/4885

“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.