SCHEMBL3456941

SCHEMBL3456941

CC(=O)c1ccc2c(c1)COCO2

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ MAPT P10636 6/20 0.47
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B1 P14061 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ PKM P14618 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 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
SCHEMBL31023870 0.86 SRD5A2 (0.51) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL3642753 0.83 TSHR (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL13684320 0.83 ALDH1A1 (0.42) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL5797738 0.83 NPC1 (0.50) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL10843775 0.80 CYP1A2 (0.56) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL11696154 0.79 NPC1 (0.50) KDM4ERAB9ANPC1MAPTPOLB
SCHEMBL31394858 0.77 NPC1 (0.60) KDM4ERAB9ANPC1MAPTPOLB
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.77 KDM4E (0.71) KDM4ERAB9ANPC1MAPTKMT2A
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.77 KDM4E (0.71) KDM4ERAB9ANPC1MAPTKMT2A
SCHEMBL3641137 0.77 PRKCI (0.63) RAB9ANPC1MAPTKMT2AMEN1

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
EP-2258703-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands Abbott Laboratories (US) 2010-12-08 — — EP disclosed
US-7205316-B2 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES (US) 2007-04-17 — — US disclosed
EP-1751130-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-02-14 — — EP disclosed
US-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands ABBVIE INC. 2005-12-08 — — US disclosed
WO-2005113536-A2 TRI- AND BI-CYCLIC HETEROARYL HISTAMINE-3 RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2005-12-01 — — WO disclosed
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands ABBOTT LABORATORIES 2005-11-17 — — 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 (2 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-20050272736-A1 Tri- and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KDM4E 2908/4885RAB9A 924/4885NPC1 2680/4885
US-20050256309-A1 Tri-and bi-cyclic heteroaryl histamine-3 receptor ligands HRH3, HRH4, HRH2 KDM4E 2908/4885RAB9A 924/4885NPC1 2680/4885

“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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