SCHEMBL20138178

SCHEMBL20138178

CC(=O)N1CCC(c2cc(F)c3c(c2)N(Cc2c(C)nc4ccc(C#N)cn24)C(=O)[C@@H](C)O3)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 9/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
SLC2A1 P11166 1/20 0.33
FASN P49327 8/20 0.33
OPRK1 P41145 1/20 0.31
ENPP2 Q13822 1/20 0.31
LRRK2 Q5S007 1/20 0.31

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
SCHEMBL20137921 0.97 CYP11B1 (0.33) RBP4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20137925 0.87 KCNK3 (0.36) CYP3A4CYP2D6
SCHEMBL20137972 0.86 SLC2A1 (0.30) SLC2A1
SCHEMBL20138114 0.85 CYP11B1 (0.35) RBP4CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20138218 0.82 BRD4 (0.30)
SCHEMBL20138212 0.81 PRNP (0.33)
SCHEMBL20138239 0.80 SLC2A1 (0.35) SLC2A1
SCHEMBL20138007 0.77 CCNT1 (0.34)
SCHEMBL20138231 0.76
SCHEMBL20138041 0.76 DCK (0.33) SLC2A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity UCB BIOPHARMA SPRL (BE) 2019-05-14 US disclosed
US-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity UCB S.A. (BE) 2018-05-17 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 (2 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-20180134728-A1 Benzoxazinone Derivatives and Analogues Thereof as Modulators of TNF Activity TNF, NFKBIA, TNFRSF1A RBP4 1134/4885CYP3A4 921/4885CYP2D6 513/4885
US-10287299-B2 Substituted benzo[b][1,4]oxazines and pyrido[3,2-b][1,4]oxazines as modulators of tumor necrosis factor activity TNF, TNFRSF1A, NFKBIA RBP4 556/4885CYP3A4 1808/4885CYP2D6 1148/4885

“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.