SCHEMBL1813697

SCHEMBL1813697

O=C(c1ccc(-n2c(-c3ccccc3)nc3ccccc32)cc1)N1CCC(N2CCCC2)C1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.79
L3MBTL3 Q96JM7 6/20 0.55
L3MBTL1 Q9Y468 6/20 0.55
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 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
SCHEMBL1811575 0.88 HRH3 (1.00) HRH3L3MBTL3L3MBTL1
SCHEMBL1811411 0.87 HRH3 (0.98) HRH3L3MBTL3L3MBTL1
SCHEMBL1810769 0.87 HRH3 (0.98) HRH3L3MBTL3L3MBTL1
Fumaric Acid SCHEMBL1814164 0.84 HRH3 (0.88) HRH3L3MBTL3L3MBTL1
SCHEMBL2884742 0.84 HRH3 (1.00) HRH3L3MBTL3L3MBTL1
SCHEMBL1810394 0.82 HRH3 (0.72) HRH3ESR1ESR2
SCHEMBL1814327 0.82 HRH3 (0.72) HRH3ESR1ESR2
SCHEMBL1811086 0.82 HRH3 (0.72) HRH3ESR1ESR2
SCHEMBL2884872 0.82 HRH3 (0.69) HRH3L3MBTL3L3MBTL1MBTD1
SCHEMBL1812849 0.80 HRH3 (0.85) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 US disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 HRH3 3/4885L3MBTL3 2875/4885L3MBTL1 4246/4885

“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.