SCHEMBL8368604

SCHEMBL8368604

CN(C(=O)c1ccc(-n2cccn2)cc1)C1CCN(Cl)CC1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.70
KCNH2 Q12809 1/20 0.69
GPR119 Q8TDV5 1/20 0.56
CCR5 P51681 2/20 0.44
USP30 Q70CQ3 2/20 0.42
MGLL Q99685 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK2 Q15119 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
NOTUM Q6P988 1/20 0.40

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
SCHEMBL3731699 0.86 HRH3 (0.88) HRH3KCNH2GPR119CCR5MGLL
SCHEMBL3670891 0.85 HRH3 (0.88) HRH3KCNH2GPR119CCR5
SCHEMBL3726028 0.85 HRH3 (0.88) HRH3KCNH2GPR119CCR5
SCHEMBL18924338 0.85 HRH3 (0.70) HRH3KCNH2GPR119CCR5USP30
SCHEMBL3636321 0.85 HRH3 (0.65) HRH3KCNH2GPR119CCR5MGLL
Hydrochloric Acid SCHEMBL3639931 0.84 HRH3 (0.64) HRH3KCNH2GPR119CCR5MGLL
SCHEMBL3731656 0.82 HRH3 (1.00) HRH3KCNH2GPR119CCR5USP30
SCHEMBL3636580 0.82 GPR119 (0.83) HRH3KCNH2GPR119USP30
SCHEMBL4944133 0.81 HRH3 (1.00) HRH3KCNH2GPR119
SCHEMBL3727978 0.81 HRH3 (1.00) HRH3KCNH2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 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-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 HRH3 2/4885KCNH2 581/4885GPR119 655/4885

“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.