SCHEMBL4951827

SCHEMBL4951827

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.45
▸ KDM1A O60341 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ CTSK P43235 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MAOA P21397 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ EPHX1 P07099 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
SCHEMBL4951823 1.00 BTK (0.45) BTKKDM1AMAOBCHRNB2CHRNA4
SCHEMBL12101142 0.85 BTK (0.46) BTKKDM1AMAOBGAACTSK
SCHEMBL15796249 0.83 BTK (0.63) BTKKDM1AMAOBGAACTSK
SCHEMBL2709810 0.83 BTK (0.44) BTKKDM1AMAOBGAACTSK
SCHEMBL2709814 0.83 BTK (0.44) BTKKDM1AMAOBGAACTSK
SCHEMBL16664806 0.82 BTK (0.46) BTKKDM1AMAOBCHRNB2CHRNA4
SCHEMBL31664496 0.81 BTK (0.47) BTKKDM1AMAOBCHRNB2CHRNA4
SCHEMBL4267743 0.81 CPB1 (0.53) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL4267741 0.81 CPB1 (0.53) KDM1AMAOBGAAKMT2AL3MBTL1
SCHEMBL4951253 0.81 BTK (0.42) BTKKDM1AMAOBGAACTSK

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-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 — — US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 — — US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 — — 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-20050020645-A1 Diamine derivatives C9, C1S, C1R BTK 1281/4885KDM1A 3565/4885MAOB 2147/4885

“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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