SCHEMBL2876452

SCHEMBL2876452

OCCc1ccc(CN2CCCC2)cc1F

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HTT P42858 1/20 0.61
BCHE P06276 3/20 0.52
ACHE P22303 2/20 0.52
KDM4E B2RXH2 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HRH3 Q9Y5N1 3/20 0.47
CHKA P35790 1/20 0.47
DPP4 P27487 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
POLB P06746 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HRH4 Q9H3N8 1/20 0.43

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
SCHEMBL28645295 0.87 ALDH1A1 (0.65) ALDH1A1HTTBCHEACHEKDM4E
SCHEMBL6225770 0.86 ALDH1A1 (0.63) ALDH1A1HTTBCHEACHEKDM4E
SCHEMBL20210279 0.81 KDM4E (0.63) ALDH1A1HTTBCHEACHEKDM4E
SCHEMBL6704155 0.79 ALDH1A1 (0.51) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL28192273 0.78 ALDH1A1 (0.96) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL28636678 0.78 ALDH1A1 (0.65) ALDH1A1HTTBCHEACHEKDM4E
SCHEMBL13293320 0.76 ALDH1A1 (1.00) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL26351812 0.76 ALDH1A1 (0.62) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL26351817 0.76 ALDH1A1 (0.62) ALDH1A1HTTKDM4ESMN1; SMN2HRH3
SCHEMBL2879886 0.76 HRH3 (0.68) ALDH1A1KDM4ESMN1; SMN2HRH3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R ALDH1A1 1631/4885HTT 3957/4885BCHE 2805/4885

“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.