SCHEMBL2167151

SCHEMBL2167151

CN1CCN(c2nc(N)ncc2-c2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.61
DHFR P00374 2/20 0.56
HTR3A P46098 1/20 0.50
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
MET P08581 1/20 0.49
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL7714702 0.86 HRH4 (0.58) HRH4DHFRHRH3CYP1A2CYP3A4
SCHEMBL7708544 0.83 NOS1 (0.58) DHFRHSD17B10
SCHEMBL4560009 0.83 HRH4 (0.54) HRH4DHFRHRH3CYP1A2CYP3A4
SCHEMBL7278447 0.78 PTPN11 (0.59) HRH4METCYP1A2CYP3A4CYP2D6
SCHEMBL30463625 0.77 DHFR (0.56) HRH4DHFRHTR3AHRH3
SCHEMBL7714603 0.77 HRH4 (0.57) HRH4HRH1HRH3
SCHEMBL2164938 0.77 HRH4 (1.00) HRH4HRH3
SCHEMBL27738433 0.77 HRH4 (0.62) HRH4HTR3AHRH2HRH1HRH3
SCHEMBL1032481 0.76 HRH4 (1.00) HRH4HTR3AHRH2HRH1HRH3
SCHEMBL2166254 0.75 HRH4 (0.73) HRH4HRH3

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 1/4885DHFR 1762/4885HTR3A 86/4885

“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.