SCHEMBL1192991

SCHEMBL1192991

NC(=O)CCCOC(=O)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.59
DRD3 P35462 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL4570310 0.89 HRH3 (0.66) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL27691343 0.85 HRH3 (0.64) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL16451429 0.84 HDAC1 (0.59) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL16606233 0.83 HRH3 (0.60) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL11527051 0.83 HRH3 (0.64) HRH3DRD3TDP1SMN1; SMN2LMNA
SCHEMBL14369811 0.83 HRH3 (0.58) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL1193529 0.83 SMN1; SMN2 (0.62) HRH3DRD3KDM4EMAPTHTT
SCHEMBL16774753 0.82 HRH3 (0.59) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL16606227 0.82 HRH3 (0.59) HRH3DRD3TDP1KDM4EMAPT
SCHEMBL16606225 0.82 HRH3 (0.59) HRH3DRD3TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 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-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 HRH3 93/4885DRD3 41/4885TDP1 887/4885

“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.