SCHEMBL6635807

SCHEMBL6635807

CCc1c(-c2ccc(OC(CC)C3CCCNC3)cc2)cc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
PDE6D O43924 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A3 Q01959 2/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL7008267 0.80 HRH3 (0.44) HRH3SLC6A2SLC6A4PDE6DL3MBTL1
SCHEMBL6637128 0.79 HRH3 (0.49) HRH3PDE6DL3MBTL1ALDH1A1GAA
SCHEMBL6636105 0.78 HRH3 (0.47) HRH3PDE6DL3MBTL1ALDH1A1GAA
SCHEMBL6633646 0.77 HRH3 (0.46) HRH3SLC6A2SLC6A4PDE6DL3MBTL1
SCHEMBL6635934 0.74 HRH3 (0.50) HRH3SLC6A2SLC6A4PDE6DALDH1A1
SCHEMBL28770569 0.73 CYP2D6 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL6634804 0.72 HRH3 (0.47) HRH3SLC6A2SLC6A4PDE6DALDH1A1
SCHEMBL4462917 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL27711524 0.69 CHRNB4 (0.36) SLC6A2SLC6A4PDE6DSLC6A3
SCHEMBL11715819 0.68 NR4A1 (0.39) SLC6A2SLC6A4SLC6A3

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 406/4885SLC6A2 54/4885SLC6A4 28/4885

“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.