SCHEMBL75509

SCHEMBL75509

O=C(NCC1CCCCC1)c1cc2ccccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.67
▸ HSD17B10 Q99714 3/20 0.67
▸ HPGD P15428 1/20 0.67
▸ FAAH O00519 1/20 0.58
▸ SCN4A P35499 1/20 0.58
▸ SCN9A Q15858 1/20 0.58
▸ SCN3A Q9NY46 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ DRD2 P14416 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ AKR1C3 P42330 1/20 0.54
▸ HTR2C P28335 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC7 Q8WUI4 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53

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
SCHEMBL6885191 0.99 KDM4E (0.68) KDM4EHSD17B10HPGDFAAHSCN4A
SCHEMBL6883734 0.96 KDM4E (0.68) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL6885051 0.93 KDM4E (0.67) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL18767312 0.88 MAOB (0.67) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL18767964 0.85 SLC6A2 (0.59) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL22534020 0.84 MAOB (0.60) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL2760120 0.84 MLLT1 (0.66) KDM4EHSD17B10HPGDNPC1ALDH1A1
SCHEMBL22533895 0.83 SCN4A (0.65) KDM4EHSD17B10HPGDSCN4ASCN9A
SCHEMBL18768573 0.81 SLC6A2 (0.66) KDM4EHSD17B10HPGDDRD2HDAC3
SCHEMBL21822466 0.81 DRD2 (0.47) KDM4EHSD17B10HPGDNPC1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129424-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2012-03-06 — — US disclosed
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS BENNANI YOUSSEF L 2011-03-10 — — US disclosed
US-7855224-B2 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders ATHERSYS, INC. (US) 2010-12-21 — — US disclosed
US-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders BENNANI YOUSSEF L 2009-02-05 — — US disclosed
EP-1460064-A1 Indole-2-carboxamide derivatives useful as beta-2 agonists Pfizer Limited (GB) 2004-09-22 — — EP 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-20090036446-A1 Indole derivatives as histamine 3 receptor inhibitors for the treatment of cognitive and sleep disorders, obesity and other CNS disorders HRH3, HCRTR1, HCRTR2 KDM4E 447/4885HSD17B10 1022/4885HPGD 1831/4885
US-20110059966-A1 INDOLE DERIVATIVES AS HISTAMINE 3 RECEPTOR INHIBITORS FOR THE TREATMENT OF COGNITIVE AND SLEEP DISORDERS, OBESITY AND OTHER CNS DISORDERS HRH3, HCRTR1, HCRTR2 KDM4E 447/4885HSD17B10 1022/4885HPGD 1831/4885

“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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