SCHEMBL20462574

SCHEMBL20462574

CCCN1CCN(C(C)(C)C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FKBP1A P62942 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ P2RX7 Q99572 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL24983494 0.89 L3MBTL1 (0.37) DPP4L3MBTL1FKBP1AMEN1KMT2A
SCHEMBL26675619 0.85 GBA1 (0.40) DPP4CYP1A1
SCHEMBL13555502 0.83 DPP4 (0.35) DPP4
SCHEMBL22604561 0.82 DPP4 (0.41) DPP4L3MBTL1DRD2DRD3KCNH2
SCHEMBL609688 0.80 L3MBTL1 (0.42) L3MBTL1FKBP1ADRD2DRD3KCNH2
SCHEMBL25065916 0.79 DPP4 (0.37) DPP4DRD2DRD3KCNH2
SCHEMBL508355 0.79 DPP4 (0.37) DPP4DRD2DRD3KCNH2MEN1
SCHEMBL21325017 0.78 DPP4 (0.36) DPP4DRD2DRD3KCNH2
SCHEMBL9815020 0.78 DPP4 (0.37) DPP4POLB
SCHEMBL16216346 0.76 — —

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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2018-08-09 — — 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-20180222882-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA DPP4 3829/4885L3MBTL1 4333/4885FKBP1A 2182/4885

“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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