SCHEMBL13712221

SCHEMBL13712221

COC(=O)C1=C(NCc2ccc(F)cc2)CCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ KCNQ3 O43525 1/20 0.40
▸ KCNQ2 O43526 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SLC6A3 Q01959 3/20 0.40
▸ CA2 P00918 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA14 Q9ULX7 1/20 0.39
▸ RAB9A P51151 1/20 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
SCHEMBL335695 0.88 NPC1 (0.50) MAPTNPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8648768 0.86 CA1 (0.52) MAPTGAASLC6A3CA2KDM4E
SCHEMBL13488375 0.81 SLC6A2 (0.63) NPC1MEN1KMT2ASLC6A3CA2
SCHEMBL4489784 0.75 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ASLC6A3
SCHEMBL17629541 0.73 KCNQ2 (0.48) MAPTMEN1KMT2AKCNQ3KCNQ2
SCHEMBL19264696 0.71 SLC6A3 (0.40) SLC6A3
SCHEMBL2597419 0.71 SLC6A3 (0.40) SLC6A3KDM4EALDH1A1RAB9A
SCHEMBL15761719 0.71 CA1 (0.75) MAPTNPC1GAASMN1; SMN2MEN1
SCHEMBL11242935 0.71 CA1 (0.75) MAPTNPC1GAASMN1; SMN2MEN1
SCHEMBL17629557 0.69 PTGER4 (0.44) GAAKCNQ3KCNQ2CA2KDM4E

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-7582626-B2 5,6-dihydro-1H-pyridin-2-one compounds ANADYS PHARMACEUTICALS, INC. (US) 2009-09-01 — — US disclosed
US-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS ANADYS PHARMACEUTICALS, INC. 2009-04-30 — — US 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-20090111798-A1 5,6-DIHYDRO-1H-PYRIDIN-2-ONE COMPOUNDS HAVCR2, PYGL, HCCS MAPT 1418/4885NPC1 152/4885GAA 1618/4885

“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.

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