SCHEMBL2167067

SCHEMBL2167067

Cc1cccc(-c2cc(N3CCN(C)CC3)nc(N)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.76
HTR3A P46098 1/20 0.76
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
ADRA2C P18825 1/20 0.60
HTR1D P28221 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
HTR7 P34969 1/20 0.60
HRH3 Q9Y5N1 1/20 0.60

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
SCHEMBL2166919 0.87 HRH4 (0.85) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2167865 0.86 HRH4 (1.00) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2168359 0.86 HRH4 (0.74) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL605878 0.86 HRH4 (0.74) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2169559 0.86 HRH4 (0.74) HRH4HTR3AHTR1AADRA2AADRA2C
Hydrochloric Acid SCHEMBL603952 0.86 HRH4 (0.82) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2166821 0.85 HRH4 (0.82) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2166566 0.84 HRH4 (0.94) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL604950 0.84 HRH4 (0.70) HRH4HTR3AHTR1AADRA2AADRA2C
SCHEMBL2166625 0.84 HRH4 (0.76) HRH4HTR3A

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 86/4885HTR1A 90/4885

“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.