SCHEMBL4383977

SCHEMBL4383977

OCCCOc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.52
DRD2 P14416 3/20 0.52
DRD3 P35462 3/20 0.52
KCNH2 Q12809 2/20 0.52
ALDH3A1 P30838 1/20 0.50
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HRH3 Q9Y5N1 6/20 0.47
RECQL P46063 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
SCHEMBL11442484 0.93 ALDH3A1 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL7862630 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8955454 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8955432 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8955525 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL10384992 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL8956151 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL11567245 0.91 HRH3 (0.53) DRD4DRD2DRD3KCNH2ALDH3A1
SCHEMBL14173681 0.89 DRD4 (0.44) DRD4DRD2DRD3KCNH2ALDH3A1
2-(4-Chlorphenoxy)-Ethanol SCHEMBL77500 0.88 ALDH1A1 (0.60) DRD4DRD2DRD3KCNH2ALDH3A1

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 13 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
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 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
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
US-4231781-A Halophenoxy-alkoxy phosphonates and thiophosphonates GAF CORPORATION (US) 1980-11-04 US disclosed
US-4203757-A Halophenoxyalkoxy phosphorous-containing sulfides GAF CORPORATION (US) 1980-05-20 US disclosed
US-4182776-A Method of treating lipidemia with aryloxyalkylaminobenzoic acids and esters AMERICAN CYANAMID COMPANY (US) 1980-01-08 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 (4 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 DRD4 421/4885DRD2 175/4885DRD3 232/4885
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA DRD4 962/4885DRD2 621/4885DRD3 970/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA DRD4 932/4885DRD2 747/4885DRD3 810/4885
US-20040019039-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 DRD4 421/4885DRD2 175/4885DRD3 232/4885

“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.