SCHEMBL2881658

SCHEMBL2881658

CN(C)[C@@H]1CCN(C(=O)c2ccc(Cn3c(-c4ccccc4)nc4ccccc43)cc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 1.00
TP53 P04637 1/20 0.53
HRH1 P35367 2/20 0.52
KCNH2 Q12809 2/20 0.52
CYP2D6 P10635 1/20 0.52
PDE6D O43924 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ALDH2 P05091 1/20 0.51
ALDH3A1 P30838 1/20 0.51
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
TBXA2R P21731 1/20 0.50
PTAFR P25105 1/20 0.50

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
SCHEMBL2885885 1.00 HRH3 (1.00) HRH3TP53HRH1KCNH2CYP2D6
SCHEMBL2878779 1.00 HRH3 (1.00) HRH3TP53HRH1KCNH2CYP2D6
SCHEMBL2886424 0.92 HRH3 (1.00) HRH3TP53PDE6DALDH1A1ALDH2
SCHEMBL2886474 0.90 HRH3 (1.00) HRH3HRH1KCNH2CYP2D6CHRM1
SCHEMBL14420733 0.88 HRH3 (0.78) HRH3TP53PDE6DALDH1A1ALDH2
SCHEMBL2882034 0.87 HRH3 (0.76) HRH3TP53PDE6DALDH1A1ALDH2
SCHEMBL2886284 0.84 HRH3 (0.72) HRH3TP53PDE6DALDH1A1ALDH2
SCHEMBL1814327 0.84 HRH3 (0.72) HRH3KCNH2
SCHEMBL1811086 0.84 HRH3 (0.72) HRH3KCNH2
SCHEMBL1810394 0.84 HRH3 (0.72) HRH3KCNH2

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 8 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-7820825-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2010-10-26 US disclosed
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
US-20070219240-A1 N-substituted-azacyclylamines as histamine-3 antagonists WYETH (US) 2007-09-20 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 3/4885TP53 4842/4885HRH1 5/4885

“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.