SCHEMBL6014890

SCHEMBL6014890

CC(C)(C)OC(=O)NCC[C@@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.54
KMT2A Q03164 5/20 0.51
EPHX1 P07099 1/20 0.48
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
CACNA1H O95180 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL23138701 0.93 KMT2A (0.58) BTKKMT2AEPHX1MEN1GAA
SCHEMBL6645178 0.93 KMT2A (0.58) BTKKMT2AEPHX1MEN1GAA
SCHEMBL12648114 0.86 EPHX1 (0.55) KMT2AEPHX1MEN1GAATDP1
SCHEMBL4346477 0.85 KMT2A (0.60) BTKKMT2AEPHX1SMN1; SMN2CTSS
SCHEMBL4354977 0.85 KMT2A (0.60) BTKKMT2AEPHX1SMN1; SMN2CTSS
SCHEMBL6641586 0.85 KMT2A (0.60) BTKKMT2AEPHX1SMN1; SMN2CTSS
SCHEMBL6641585 0.85 KMT2A (0.60) BTKKMT2AEPHX1SMN1; SMN2CTSS
SCHEMBL880996 0.82 EPHX1 (0.50) BTKKMT2AEPHX1MEN1GAA
SCHEMBL7816567 0.81 EPHX1 (0.48) BTKKMT2AEPHX1MEN1GAA
SCHEMBL5030185 0.80 TDP1 (0.51) KMT2AEPHX1MEN1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors INCYTE CORPORATION 2006-01-26 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-20060020133-A1 3-aminocyclopentanecarboxamides as modulators of chemokine receptors CCR5, ACKR3, CXCR3 BTK 1970/4885KMT2A 3786/4885EPHX1 485/4885

“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.