SCHEMBL5863451

SCHEMBL5863451

CCOC(=O)c1cc(N2CCNCC2)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.55
MAPT P10636 6/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 2/20 0.45
CDK4 P11802 3/20 0.44
CCND1 P24385 3/20 0.44
FGFR1 P11362 1/20 0.44
CCNA2 P20248 1/20 0.44
FGFR2 P21802 1/20 0.44
FGFR4 P22455 1/20 0.44
FGFR3 P22607 1/20 0.44
CDK2 P24941 1/20 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
SCHEMBL8352185 0.89 ADRB1 (0.55) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL19212046 0.87 MAPT (0.46) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL3464205 0.87 MAPT (0.54) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL709125 0.85 MAPT (0.50) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL5863292 0.84 ALDH1A1 (0.49) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL3463899 0.83 MAPT (0.59) MAPTALDH1A1POLBLMNAMAPK1
SCHEMBL5864094 0.81 ALDH1A1 (0.52) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL21430924 0.80 MAPT (0.55) ADRB1MAPTKDM4EALDH1A1MEN1
SCHEMBL29138207 0.80 ADRB1 (0.61) ADRB1MAPTALDH1A1MEN1USP2
SCHEMBL62795 0.80 HPGD (0.56) ADRB1MAPTKDM4EALDH1A1MEN1

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 ADRB1 333/4885MAPT 4733/4885KDM4E 2536/4885

“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.