SCHEMBL2882825

SCHEMBL2882825

C=CCC(COCc1ccccc1)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.45
▸ SLC1A1 P43005 1/20 0.43
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA7 P43166 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ FOLH1 Q04609 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HCAR2 Q8TDS4 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ TACR1 P25103 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
SCHEMBL2882822 1.00 TDP1 (0.45) TDP1SLC1A1CA1CA2CA7
SCHEMBL27739219 0.87 SLC1A1 (0.44) SLC1A1CA1CA2CA7CA9
SCHEMBL1663117 0.83 CA1 (0.46) TDP1SLC1A1CA1CA2CA7
SCHEMBL1663119 0.83 CA1 (0.46) TDP1SLC1A1CA1CA2CA7
SCHEMBL1664059 0.83 CA1 (0.46) TDP1SLC1A1CA1CA2CA7
SCHEMBL2878217 0.80 CA1 (0.46) TDP1SLC1A1CA1CA2CA7
SCHEMBL18391961 0.80 CA1 (0.46) TDP1SLC1A1CA1CA2CA7
SCHEMBL27654669 0.79 TDP1 (0.45) TDP1SLC1A1CA1CA2CA7
SCHEMBL24215419 0.79 CA1 (0.45) TDP1SLC1A1CA1CA2CA7
SCHEMBL24215056 0.79 CA1 (0.45) TDP1SLC1A1CA1CA2CA7

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-7855294-B2 Cycloalkanopyridine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 — — US disclosed
US-20070191419-A1 Cycloalkanopyridine derivative MSD K.K. (JP) 2007-08-16 — — US disclosed
EP-1726590-A1 CYCLOALKANOPYRIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-29 — — 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-20070191419-A1 Cycloalkanopyridine derivative OPRL1, OPRK1, AVPR2 TDP1 2531/4885SLC1A1 340/4885CA1 2667/4885

“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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