SCHEMBL6633646

SCHEMBL6633646

CCC(Oc1ccc(-c2cn3ccccc3c2-c2ccccc2)cc1)C1CCCNC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
PDE6D O43924 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CHRNB4 P30926 2/20 0.34
CHRNA3 P32297 2/20 0.34
SLC6A2 P23975 1/20 0.33

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
SCHEMBL6636105 0.90 HRH3 (0.47) HRH3PDE6DKDM4EALDH1A1GAA
SCHEMBL6637128 0.89 HRH3 (0.49) HRH3PDE6DKDM4EALDH1A1GAA
SCHEMBL6635934 0.87 HRH3 (0.50) HRH3PDE6DKDM4EALDH1A1GAA
SCHEMBL7008267 0.82 HRH3 (0.44) HRH3PDE6DKDM4EALDH1A1MEN1
SCHEMBL6634804 0.78 HRH3 (0.47) HRH3PDE6DKDM4EALDH1A1SLC6A2
SCHEMBL6635807 0.77 HRH3 (0.49) HRH3PDE6DALDH1A1GAAHPGD
SCHEMBL6633644 0.76 HRH3 (0.59) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28770569 0.73 CYP2D6 (0.38) CYP3A4CYP2D6CHRNB2CHRNA4SLC6A2
SCHEMBL4462917 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL6641997 0.69 KDM4E (0.56) HRH3KDM4EALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268479-B1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARM INC (US) 2004-01-28 EP claimed
EP-1268479-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP claimed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US claimed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO claimed
EP-1268479-B1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARM INC (US) 2004-01-28 EP disclosed
EP-1268479-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-01-02 EP disclosed
US-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines ORTHO MCNEIL PHARMACEUTICAL, INC. 2001-12-13 US disclosed
WO-2001074814-A1 PHENYL-SUBSTITUTED INDOLIZINE DERIVATIVES AND THEIR USE AS HISTAMINE H3 LIGANDS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 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 (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-20010051632-A1 Phenyl-substituted indolizines and tetrahydroindolizines TPH2, TPH1, IDO2 HRH3 406/4885PDE6D 3288/4885KDM4E 1223/4885

“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.