SCHEMBL4392307

SCHEMBL4392307

COc1ccc(OCCCO)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TUBB1 Q9H4B7 1/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PNLIP P16233 1/20 0.48
PRSS1 P07477 4/20 0.46
DRD3 P35462 1/20 0.46
ADRB2 P07550 1/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1008366 0.93 PNLIP (0.55) CA2CA12CA1CA7CA9
SCHEMBL4374860 0.91 CA2 (0.57) CA2CA12CA1CA7CA9
SCHEMBL12888557 0.87 CA12 (0.59) CA2CA12CA1CA7CA9
SCHEMBL8337382 0.85 CA12 (0.59) CA2CA12CA1CA7CA9
SCHEMBL11708983 0.84 ALDH1A1 (0.58) TUBB1PNLIPADRB2MAPTALDH1A1
SCHEMBL9211531 0.83 CA2 (0.57) CA2CA12CA1CA7CA9
SCHEMBL4684034 0.82 PARP15 (0.59) MAPTALDH1A1LMNAHPGDHTT
SCHEMBL28203223 0.82 CA2 (0.61) CA2CA12CA1CA7CA9
SCHEMBL2947904 0.82 MELK (0.44) CA2TUBB1ADRB2MAPTHTT
SCHEMBL22498547 0.81 CA2 (0.55) CA2CA12CA1CA7CA9

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 CA2 2709/4885CA12 3539/4885CA1 2892/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 CA2 2709/4885CA12 3539/4885CA1 2892/4885

“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.