SCHEMBL20138191

SCHEMBL20138191

CC(=O)N1CCC(c2cc(F)c3c(c2)NC(=O)[C@@H](C)O3)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
PARP1 P09874 8/20 0.36
TRPV1 Q8NER1 4/20 0.36
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
QDPR P09417 1/20 0.34
MAPT P10636 1/20 0.34
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34

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
SCHEMBL20138247 0.95 TRPV1 (0.35) PARP1TRPV1CDK7CDK9
SCHEMBL20138024 0.92 PARP1 (0.38) PARP1TRPV1CDK7CDK9SMYD3
SCHEMBL28525837 0.86 MAPT (0.45) PDE4BMAPT
SCHEMBL18305073 0.82 NR3C1 (0.39) PDE4BTRPV1QDPRMAPTPRKAB2
SCHEMBL18305068 0.77 PGR (0.38) TRPV1MAPT
Hydrochloric Acid SCHEMBL20137965 0.77 PARP1 (0.33) PARP1TRPV1
SCHEMBL20137956 0.77 HTR2A (0.34) PARP1TRPV1
SCHEMBL18305086 0.72 NR3C1 (0.37) PARP1TRPV1MAPT
SCHEMBL16792483 0.69 PARP1 (0.44) PARP1SMYD3
SCHEMBL30806796 0.69 PARP1 (0.44) PARP1SMYD3

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
CN-107873031-B Benzoxazinone derivatives and analogs thereof as modulators of TNF activity UCB生物制药私人有限公司 2021-03-12 CN disclosed
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 PDE4B 1161/4885PARP1 1553/4885TRPV1 92/4885
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 PDE4B 645/4885PARP1 2142/4885TRPV1 203/4885

“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.