SCHEMBL2167737

SCHEMBL2167737

CN1CCN(c2cc(-c3ccccc3C#N)nc(N)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.63
HTR1A P08908 1/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2C P18825 1/20 0.63
HTR1D P28221 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
HTR7 P34969 1/20 0.63
HRH3 Q9Y5N1 1/20 0.63
HTR3A P46098 1/20 0.63

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
SCHEMBL27738435 0.83 HRH4 (0.71) HRH4HTR3A
SCHEMBL2169029 0.82 HRH4 (0.69) HRH4HTR3A
SCHEMBL2166675 0.82 HRH4 (0.69) HRH4HTR3A
SCHEMBL2165190 0.81 HRH4 (0.80) HRH4HTR3A
SCHEMBL607510 0.80 HRH4 (0.66) HRH4HTR3A
SCHEMBL2167178 0.79 HRH4 (0.64) HRH4HTR3A
SCHEMBL2165339 0.79 HRH4 (0.69) HRH4HTR3A
SCHEMBL2167865 0.78 HRH4 (1.00) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL2166660 0.78 HRH4 (1.00) HRH4HTR1AADRA2AADRA2CHTR1D
SCHEMBL604430 0.77 HRH4 (0.76) HRH4HTR1AADRA2AADRA2CHTR1D

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 1/4885HTR1A 90/4885ADRA2A 159/4885

“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.