SCHEMBL20063768

SCHEMBL20063768

CCCN(C)[C@H]1C[C@@H](C)CCC1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
BTK Q06187 1/20 0.36
KDM1A O60341 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 2/20 0.33
EPHX1 P07099 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CTSK P43235 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32

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
SCHEMBL20063775 0.84 MAOB (0.36) CA12CA1CA7CA14MAOB
SCHEMBL20063754 0.84 BTK (0.41) MAOBMAOABTKKDM1AKMT2A
SCHEMBL20063700 0.84 BTK (0.41) MAOBMAOABTKKDM1AKMT2A
SCHEMBL26253793 0.74 BTK (0.42) MAOBMAOABTKKDM1AKMT2A
SCHEMBL5315178 0.74 BTK (0.44) CA1MAOBMAOABTKKDM1A
SCHEMBL13813883 0.73 BTK (0.46) MAOBBTKKDM1AGAAEPHX1
SCHEMBL20063771 0.73 MAOB (0.39) CA12CA1CA7CA14MAOB
SCHEMBL23096323 0.73 BTK (0.43) CA1MAOBMAOABTKKDM1A
SCHEMBL20063702 0.73 BTK (0.50) CA1MAOBMAOABTKKDM1A
SCHEMBL10102977 0.72 BTK (0.43) CA12CA1CA7CA14MAOB

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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2018-04-19 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-20180105504-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF NPY5R, REN, F12 CA12 1829/4885CA1 1455/4885CA7 1431/4885

“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.