SCHEMBL5863254

SCHEMBL5863254

CCOC(=O)c1cc(N2CCN(CC(c3ccccc3)c3ccccc3)CC2)ccc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 3/20 0.46
TSHR P16473 3/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL5864185 0.77 KCNA3 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5863451 0.76 ADRB1 (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL30837367 0.74 ADRB2 (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL29181095 0.74 ADRB2 (0.47) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL13184026 0.74 PARP1 (0.57) KMT2AMEN1ALDH1A1MAPTTSHR
SCHEMBL5863544 0.74 AGER (0.43) KMT2AMEN1
SCHEMBL29181045 0.72 IP6K1 (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL30837392 0.72 IP6K1 (0.46) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL5863895 0.72 KCNA3 (0.54) ALDH1A1MAPTTSHR
SCHEMBL15702627 0.72 KDM4E (0.62) KMT2AMEN1ALDH1A1MAPTKDM4E

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
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP 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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC KMT2A 2580/4885MEN1 4072/4885ALDH1A1 1345/4885

“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.