SCHEMBL3576393

SCHEMBL3576393

c1cc(N2CCNCC2)ccc1OC1CCN(C2CCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 18/20 0.57
HRH1 P35367 1/20 0.53
KCNH2 Q12809 5/20 0.50
HTR3E A5X5Y0 1/20 0.49
HTR3B O95264 1/20 0.49
ADRB1 P08588 1/20 0.49
HTR3A P46098 1/20 0.49
HTR3D Q70Z44 1/20 0.49
HTR3C Q8WXA8 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
LTA4H P09960 1/20 0.47

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
Hydrochloric Acid SCHEMBL5273514 0.99 HRH3 (0.56) HRH3HRH1KCNH2HTR3EHTR3B
SCHEMBL8259263 0.88 ADRB1 (0.57) HRH3HRH1HTR3EHTR3BADRB1
SCHEMBL5931666 0.86 HRH3 (0.57) HRH3HRH1KCNH2HTR3EHTR3B
SCHEMBL18553743 0.84 ADRB1 (0.56) HRH3HRH1HTR3EHTR3BADRB1
SCHEMBL18553745 0.84 ADRB1 (0.59) HRH3HRH1HTR3EHTR3BADRB1
Hydrochloric Acid SCHEMBL6539081 0.82 ADRB1 (0.54) HRH3HRH1HTR3EHTR3BADRB1
SCHEMBL739109 0.82 HRH3 (0.55) HRH3HRH1KCNH2
SCHEMBL4670592 0.81 HRH3 (0.57) HRH3KCNH2
Hydrochloric Acid SCHEMBL5276142 0.80 HRH3 (0.48) HRH3HRH1KCNH2
SCHEMBL4696928 0.80 HRH3 (0.56) HRH3HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-03-25 US disclosed
EP-1567511-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004035556-A1 SUBSTITUTED PIPERAZINES, (1,4) DIASZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-04-29 WO 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-20100075953-A1 SUBSTITUTED PIPERAZINES, (1,4) DIAZEPINES, AND 2,5-DIAZABICYCLO (2.2.1) HEPTANES AS HISTAMINE H1 AND/OR H3 ANTAGONISTS OR HISTAMINE H3 REVERSE ANTAGONISTS HRH3, HRH4, HRH2 HRH3 1/4885HRH1 4/4885KCNH2 352/4885

“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.