SCHEMBL6633644

SCHEMBL6633644

c1ccc(-c2c(-c3ccc(OCCCC4CCCNC4)cc3)cn3ccccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.59
NPY1R P25929 12/20 0.45
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 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
SCHEMBL6636097 0.89 HRH3 (0.59) HRH3NPY1R
SCHEMBL6635339 0.87 HRH3 (0.60) HRH3NPY1R
SCHEMBL6635925 0.86 HRH3 (0.62) HRH3NPY1RCHRNB2CHRNA4CHRNB4
SCHEMBL7008263 0.80 HRH3 (0.58) HRH3NPY1R
SCHEMBL6634796 0.77 HRH3 (0.59) HRH3NPY1R
SCHEMBL6633646 0.76 HRH3 (0.46) HRH3CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL6633641 0.74 HRH3 (1.00) HRH3
SCHEMBL6635801 0.74 HRH3 (0.61) HRH3NPY1RCHRNB2CHRNA4CHRNB4
SCHEMBL4056854 0.72 HTR3A (0.46) HRH3NPY1RCHRNB2CHRNA4CHRNB4
SCHEMBL7955354 0.71 KMT2A (0.54) NPY1RCHRNB2CHRNA4CHRNB4CHRNA3

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 406/4885NPY1R 1112/4885CHRNB2 323/4885

“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.