SCHEMBL75255

SCHEMBL75255

CC(C)CNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.64
DRD3 P35462 1/20 0.64
GAA P10253 3/20 0.64
LMNA P02545 1/20 0.64
KDM4E B2RXH2 3/20 0.63
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 1/20 0.63
HTR2C P28335 1/20 0.63
HSD17B10 Q99714 1/20 0.60
TAS1R3 Q7RTX0 1/20 0.60
TAS1R1 Q7RTX1 1/20 0.60
AKR1C3 P42330 1/20 0.59
HPGD P15428 1/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL30595731 1.00 DRD2 (0.64) DRD2DRD3GAALMNAKDM4E
SCHEMBL7094858 0.85 DRD2 (0.60) DRD2DRD3GAALMNAKDM4E
SCHEMBL13101463 0.84 DRD2 (0.63) DRD2DRD3GAALMNAKDM4E
SCHEMBL5349216 0.83 DRD2 (0.68) DRD2DRD3GAALMNAKDM4E
SCHEMBL9397179 0.83 DRD2 (0.74) DRD2DRD3GAALMNAKDM4E
SCHEMBL24197011 0.83 HDAC2 (0.58) KDM4EALDH1A1HSD17B10HPGDHDAC3
SCHEMBL2735806 0.82 HDAC3 (0.57) LMNAKDM4EALDH1A1HSD17B10HPGD
SCHEMBL13113077 0.81 DRD2 (0.66) DRD2DRD3GAALMNAKDM4E
SCHEMBL13753861 0.81 DRD2 (0.84) DRD2DRD3GAAKDM4EALDH1A1
SCHEMBL7742785 0.81 DRD2 (0.66) DRD2DRD3GAALMNAKDM4E

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-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

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 DRD2 97/4885DRD3 66/4885GAA 2759/4885
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 DRD2 97/4885DRD3 66/4885GAA 2759/4885

“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.