SCHEMBL6641997

SCHEMBL6641997

COc1ccc(-c2cn3ccccc3c2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
POLB P06746 2/20 0.56
HTT P42858 1/20 0.56
HRH3 Q9Y5N1 2/20 0.56
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
QPCT Q16769 1/20 0.50
QPCTL Q9NXS2 1/20 0.50
ABL1 P00519 1/20 0.46
ABCB1 P08183 1/20 0.46
BCR P11274 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL1435638 0.85 HRH3 (0.53) KDM4EALDH1A1GAAPOLBHTT
Iodide SCHEMBL10843763 0.84 HRH3 (0.52) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL6640418 0.83 KDM4E (0.61) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL6636591 0.80 HRH3 (0.50) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL6638755 0.79 HRH3 (0.61) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL6637278 0.78 HRH3 (0.62) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL11184258 0.78 KDM4E (0.50) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL11307328 0.78 KDM4E (0.41) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL10001600 0.77 HRH3 (0.48) KDM4EALDH1A1GAAPOLBHTT
SCHEMBL11096265 0.77 ABL1 (0.58) KDM4EALDH1A1GAAPOLBHTT

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 4 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 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 KDM4E 1223/4885ALDH1A1 967/4885GAA 2400/4885

“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.