SCHEMBL3735236

SCHEMBL3735236

CC(C)N1CCC(N(C)C(=O)c2ccc(Cn3cccn3)cc2)CC1

nearest known ligand 0.89

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.89
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
KCNH2 Q12809 2/20 0.46
CCR5 P51681 2/20 0.45
PTAFR P25105 1/20 0.43
CCR3 P51677 1/20 0.42
JAK1 P23458 2/20 0.42
CYP2D6 P10635 1/20 0.41
MCHR1 Q99705 1/20 0.41
BRD4 O60885 1/20 0.41
TAF1 P21675 1/20 0.41
CECR2 Q9BXF3 1/20 0.41
BRD9 Q9H8M2 1/20 0.41

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
SCHEMBL3725079 0.94 HRH3 (1.00) HRH3HDAC1HDAC6KCNH2CCR5
SCHEMBL3670948 0.90 HRH3 (0.86) HRH3KCNH2
SCHEMBL3736462 0.86 HRH3 (0.86) HRH3KCNH2
SCHEMBL4944433 0.84 HRH3 (0.89) HRH3HDAC1HDAC6KCNH2CCR5
SCHEMBL3668484 0.84 HRH3 (0.89) HRH3HDAC1HDAC6KCNH2PTAFR
SCHEMBL3732818 0.84 HRH3 (0.67) HRH3HDAC1HDAC6KCNH2CCR5
Hydrochloric Acid SCHEMBL3738480 0.83 HRH3 (0.66) HRH3HDAC1HDAC6KCNH2CCR5
SCHEMBL3731699 0.82 HRH3 (0.88) HRH3KCNH2CCR5JAK1BRD4
SCHEMBL4943963 0.81 HRH3 (0.64) HRH3
SCHEMBL3673063 0.81 HRH3 (1.00) HRH3KCNH2CYP2D6MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101778838-A Azacyclylbenzamide derivatives as histamine-3 antagonists WYETH CORP 2010-07-14 CN claimed
EP-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 EP claimed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO claimed
US-20080293771-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-11-27 US claimed
CN-101778838-A Azacyclylbenzamide derivatives as histamine-3 antagonists WYETH CORP 2010-07-14 CN disclosed
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 2/4885HDAC1 482/4885HDAC6 425/4885

“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.