SCHEMBL4380651

SCHEMBL4380651

COc1ccc(C(=O)CC(=O)C(=O)O)cc1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.64
LMNA P02545 1/20 0.64
MAPK1 P28482 1/20 0.64
RAB9A P51151 1/20 0.64
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
ERCC5 P28715 5/20 0.50
FEN1 P39748 5/20 0.50
ACHE P22303 1/20 0.49
PTPN1 P18031 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
TDP1 Q9NUW8 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
SCHEMBL4495664 0.88 HTT (0.68) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL15174092 0.84 HTT (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL16376271 0.84 HTT (0.63) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL17732028 0.83 PDE4B (0.53) MEN1KMT2AALDH1A1MAPTERCC5
SCHEMBL20913013 0.83 ALDH1A1 (0.54) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2848243 0.81 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL2845183 0.81 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL6331262 0.81 HTT (0.67) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL5685418 0.81 HTT (0.58) HTTLMNAMAPK1RAB9ATAS1R3
SCHEMBL4029594 0.81 HTT (0.58) HTTLMNAMAPK1RAB9ATAS1R3

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-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
EP-1421071-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS NOVO NORDISK A/S (DK) 2004-05-26 EP disclosed
US-20040019039-A1 Substituted piperazines and diazepanes HIGH POINT PHARMACEUTICALS, LLC 2004-01-29 US disclosed
WO-2003004480-A2 SUBSTITUTED PIPERAZINE AND DIAZEPANES AS HISTAMINE H3 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2003-01-16 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 (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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HTT 360/4885LMNA 4304/4885MAPK1 3802/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 HTT 360/4885LMNA 4304/4885MAPK1 3802/4885

“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.