SCHEMBL17791652

SCHEMBL17791652

CC(C)(C)OC(=O)N[C@@H]1CC/C=C/CCC1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.43
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ KDM1A O60341 2/20 0.40
▸ MAOB P27338 2/20 0.39
▸ CTSK P43235 2/20 0.38
▸ GAA P10253 2/20 0.36
▸ MAOA P21397 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22859975 1.00 BTK (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL17190494 1.00 BTK (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL22859981 1.00 BTK (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL17190462 1.00 BTK (0.43) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL24623231 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL21184415 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL556948 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL556949 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL27343830 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A
SCHEMBL19932164 0.85 BTK (0.49) BTKNFKB1NFKB2RELAKDM1A

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-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS N.V. (NL) 2016-06-02 — — 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-20160151505-A1 BIO-ORTHOGONAL DRUG ACTIVATION JMJD7, KIT, PAICS BTK 52/4885NFKB1 2061/4885NFKB2 2024/4885

“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.

Send feedback