SCHEMBL1812812

SCHEMBL1812812

O=C(c1ccc(-n2c3ccccc3c3ccccc32)cc1)[N+]1([C@H]2CCNC2)CCCC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ SLC6A3 Q01959 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PTPN1 P18031 2/20 0.34
▸ REN P00797 6/20 0.33
▸ KDR P35968 1/20 0.33
▸ HTR6 P50406 1/20 0.32
▸ TFPI2 P48307 1/20 0.32
▸ NPY1R P25929 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL2878939 0.84 HDAC6 (0.46) PTPN1
SCHEMBL3844239 0.77 NPC1 (0.36) —
SCHEMBL4792135 0.72 HDAC6 (0.40) KDM4ELMNAHTT
SCHEMBL4792261 0.71 HRH3 (0.52) L3MBTL1KDM4ELMNAMAPTHTT
SCHEMBL4155158 0.71 HPGD (0.43) MAPT
SCHEMBL30368253 0.66 L3MBTL1 (0.59) HDAC4L3MBTL1KDM4EATMPTPN1
SCHEMBL17850954 0.66 L3MBTL1 (0.59) HDAC4L3MBTL1KDM4EATMPTPN1
SCHEMBL12937260 0.66 L3MBTL1 (0.59) HDAC4L3MBTL1KDM4EATMPTPN1
SCHEMBL4790571 0.65 KMT2A (0.45) LMNAHTT
SCHEMBL11330837 0.64 L3MBTL1 (0.66) HDAC4L3MBTL1KDM4EATMPTPN1

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 4 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
EP-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP disclosed
US-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-05-22 — — US disclosed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — 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-20080119458-A1 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS HNMT, HRH4, HRH3 SLC6A2 87/4885SLC6A4 171/4885SLC6A3 54/4885

“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.

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