SCHEMBL6789871

SCHEMBL6789871

CCCCOc1ccc(N(C)CCC2(O)CCN(CC(=O)c3ccc(F)cc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HRH3 Q9Y5N1 6/20 0.44
DRD2 P14416 1/20 0.43
THRB P10828 5/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
LMNA P02545 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADRA2C P18825 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
Hydrochloric Acid SCHEMBL6784250 0.99 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2D6CYP3A4GAA
SCHEMBL6785964 0.91 OPRM1 (0.44) ALDH1A1CYP1A2CYP2D6CYP3A4HRH3
Hydrochloric Acid SCHEMBL6780808 0.90 OPRM1 (0.43) ALDH1A1CYP1A2CYP2D6CYP3A4HRH3
SCHEMBL7221380 0.86 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP2D6CYP3A4GAA
SCHEMBL6783660 0.85 MMP1 (0.52) ALDH1A1CYP2D6GAATSHRHRH3
Hydrochloric Acid SCHEMBL6783396 0.84 MMP1 (0.52) ALDH1A1CYP2D6GAATSHRHRH3
SCHEMBL6791086 0.83 HTR2A (0.43) ALDH1A1GAAHRH3DRD2THRB
Hydrochloric Acid SCHEMBL6785753 0.82 HTR2A (0.42) ALDH1A1GAAHRH3DRD2THRB
SCHEMBL6784015 0.81 DRD2 (0.41) TSHRHRH3DRD2HRH1SLC6A2
SCHEMBL6789600 0.81 L3MBTL1 (0.43) CYP1A2CYP2D6HRH3HRH2HRH1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6710060-B2 4-hydroxypiperidine derivatives having antiarrhythmic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-03-23 US disclosed
US-20020188006-A1 4-hydroxypiperidine derivatives having antiarrhythmic activity MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-12-12 US disclosed
EP-1182192-A1 4-HYDROXYPIPERIDINE DERIVATIVES HAVING ANTIARRHYTHMIC EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 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-20020188006-A1 4-hydroxypiperidine derivatives having antiarrhythmic activity SCN5A, RYR2, SCN1B ALDH1A1 416/4885CYP1A2 463/4885CYP2D6 277/4885

“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.