SCHEMBL20138002

SCHEMBL20138002

Cc1nn(C)c(C)c1CN1C(=O)COc2ccc(N3CCC[C@](C)(C(=O)O)C3)nc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
ARG1 P05089 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
SLC6A4 P31645 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
SCHEMBL20138021 0.93 EIF2AK4 (0.36) SHMT2NPC1RAB9ASMN1; SMN2ARG1
SCHEMBL20137971 0.75 SMN1; SMN2 (0.36) SHMT2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20138128 0.72 SHMT2 (0.34) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138189 0.71 SMN1; SMN2 (0.34) SHMT2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20138092 0.70 SMN1; SMN2 (0.36) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138285 0.70 GALR3 (0.36) SHMT2NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL20137954 0.69 HTR1A (0.38) KCNH2HTTALDH1A1HTR1AHTR1D
SCHEMBL20138145 0.68 HTT (0.34) SMN1; SMN2TSHRHTTALDH1A1
SCHEMBL20138097 0.67 GRM2 (0.32) SHMT2NPC1RAB9ASMN1; SMN2
SCHEMBL20138211 0.65 DRD2 (0.32) SHMT2NPC1RAB9ASMN1; SMN2TSHR

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 SHMT2 2782/4885NPC1 4103/4885RAB9A 1652/4885
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 SHMT2 3128/4885NPC1 4360/4885RAB9A 1873/4885

“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.