SCHEMBL2884865

SCHEMBL2884865

c1ccc2c(c1)ncn2Cc1ccc(CN2CC[C@H](N3CCCC3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.69
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
TNF P01375 1/20 0.53
HTT P42858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ADRA2A P08913 1/20 0.45

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
SCHEMBL13085875 1.00 HRH3 (0.69) HRH3CYP11B1CYP11B2TNFHTT
Hydrochloric Acid SCHEMBL2884735 0.99 HRH3 (0.68) HRH3CYP11B1CYP11B2TNFHTT
SCHEMBL2883537 0.89 HRH3 (0.57) HRH3CYP11B1CYP11B2TNFHTT
SCHEMBL2884414 0.88 HRH3 (0.56) HRH3CYP11B1CYP11B2TNFHTT
SCHEMBL13085768 0.87 HRH3 (0.65) HRH3CYP11B1CYP11B2TNFHTT
Hydrochloric Acid SCHEMBL2884193 0.86 HRH3 (0.64) HRH3CYP11B1CYP11B2TNFHTT
SCHEMBL1816405 0.86 HRH3 (0.53) HRH3HTT
Hydrochloric Acid SCHEMBL1816217 0.85 HRH3 (0.52) HRH3HTT
SCHEMBL1814415 0.85 HRH3 (0.52) HRH3HTT
SCHEMBL2879067 0.84 HRH3 (0.52) HRH3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US claimed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 US claimed
US-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists HNMT, HRH4, HRH3 HRH3 3/4885CYP11B1 2856/4885CYP11B2 2197/4885

“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.