SCHEMBL19966809

SCHEMBL19966809

CCCCCCCC(C)(CCCCCC)c1ncco1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.39
CES1 P23141 1/20 0.39
CYP2D6 P10635 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CNR2 P34972 3/20 0.31
CYP3A4 P08684 1/20 0.31
CNR1 P21554 2/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
NR5A1 Q13285 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
SCHEMBL18557093 1.00 FAAH (0.39) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL22952384 1.00 FAAH (0.39) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL21720518 0.98 FAAH (0.38) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL22023892 0.96 FAAH (0.36) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL22023889 0.93 FAAH (0.35) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL22059374 0.86 FAAH (0.39) FAAHCES1CNR2CNR1
SCHEMBL21884287 0.78 FAAH (0.35) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL5735522 0.77 FAAH (0.42) FAAHCES1S1PR4S1PR1S1PR3
SCHEMBL16920269 0.76 FAAH (0.36) FAAHCES1CYP2D6CYP1A2CYP19A1
SCHEMBL24211374 0.74 CNR2 (0.30) CNR2

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-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 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 (3 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-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR FAAH 933/4885CES1 1432/4885CYP2D6 3128/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR FAAH 933/4885CES1 1432/4885CYP2D6 3128/4885
US-20230159489-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 FAAH 929/4885CES1 1087/4885CYP2D6 3612/4885

“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.