SCHEMBL5864094

SCHEMBL5864094

CCOC(=O)c1ccc(N2CCNCC2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPT P10636 4/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
AOC3 Q16853 1/20 0.47
THRB P10828 2/20 0.43
ADRB1 P08588 1/20 0.43
ABHD6 Q9BV23 1/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR1D P28221 1/20 0.42
HTR2C P28335 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 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
SCHEMBL5863292 0.84 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL8352185 0.84 ADRB1 (0.55) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL709125 0.83 MAPT (0.50) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL4936751 0.82 AOC3 (0.50) ALDH1A1MAPTUSP2TSHRAOC3
SCHEMBL5863451 0.81 ADRB1 (0.55) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL19212046 0.79 MAPT (0.46) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL3464205 0.79 MAPT (0.54) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL7468709 0.78 PRKD3 (0.45) ALDH1A1MAPTKDM4EUSP2MEN1
SCHEMBL21430924 0.78 MAPT (0.55) ALDH1A1MAPTKDM4EUSP2MEN1
Hydrochloric Acid SCHEMBL23044907 0.77 MAPT (0.54) ALDH1A1MAPTKDM4EUSP2MEN1

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 ALDH1A1 1345/4885MAPT 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.