SCHEMBL6784704

SCHEMBL6784704

CCCCOc1ccc(N(C)CC(O)C2(O)CCN(CCc3ccc(F)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR7 P34969 3/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
HRH1 P35367 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 1/20 0.42
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HRH3 Q9Y5N1 2/20 0.39
THRB P10828 1/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTR2C P28335 2/20 0.39

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 SCHEMBL6784428 0.99 HTR2A (0.41) HTR2AHTR7DRD2DRD1DRD5
SCHEMBL6783449 0.91 KCNH2 (0.43) MMP1MMP9MMP13ALDH1A1HRH3
SCHEMBL6785390 0.90 HTR2A (0.41) HTR2AHTR7DRD2DRD1DRD5
Hydrochloric Acid SCHEMBL6785113 0.90 KCNH2 (0.45) MMP1MMP9MMP13ALDH1A1HRH3
Hydrochloric Acid SCHEMBL6782212 0.89 HTR2A (0.41) HTR2AHTR7DRD2DRD1DRD5
SCHEMBL6785641 0.85 MMP9 (0.44) HTR2AHTR7DRD2DRD1DRD5
SCHEMBL6791086 0.83 HTR2A (0.43) HTR2AHTR7DRD2DRD1DRD5
Hydrochloric Acid SCHEMBL6785753 0.82 HTR2A (0.42) HTR2AHTR7DRD2DRD1DRD5
SCHEMBL6782840 0.81 MMP1 (0.48) MMP1MMP9MMP13ALDH1A1HPGD
SCHEMBL6905985 0.80 MMP9 (0.43) HTR2AHTR7DRD2DRD1DRD5

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 HTR2A 932/4885HTR7 448/4885DRD2 152/4885

“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.