SCHEMBL2168204

SCHEMBL2168204

CN(C)CCNc1cc(C(C)(C)C)nc(N)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
HSD17B10 Q99714 1/20 0.41
TLR8 Q9NR97 1/20 0.41
DNM2 P50570 7/20 0.40
HRH4 Q9H3N8 2/20 0.40
CYP2C19 P33261 2/20 0.40
NCF1 P14598 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL12605112 0.82 HRH3 (0.54) HRH3TLR8DNM2HRH4CYP2C19
SCHEMBL3209288 0.78 CYP2D6 (0.64) HRH3TLR8DNM2HRH4CYP2C19
SCHEMBL17300725 0.75 DNM2 (0.57) HRH3DNM2HRH4CYP2C19
SCHEMBL2166206 0.72 HRH3 (0.53) HRH3HSD17B10HRH4
SCHEMBL17985629 0.71 TLR8 (0.69) HRH3HSD17B10TLR8DNM2HRH4
SCHEMBL2567744 0.71 DNM2 (0.64) HRH3DNM2HRH4CYP2D6
SCHEMBL16840340 0.70 HRH3 (1.00) HRH3TLR8DNM2HRH4CYP2C19
SCHEMBL11447017 0.70 NOS1 (0.52) HRH3DNM2CYP2C19NCF1
SCHEMBL18007575 0.70 HSD17B10 (0.72) HSD17B10HRH4
SCHEMBL2166250 0.70 HSD17B10 (0.45) HSD17B10

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 HRH3 2/4885HSD17B10 3225/4885TLR8 748/4885

“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.