SCHEMBL17867679

SCHEMBL17867679

C[C@@H]1CN(CC(=N)NO)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
MAP4K4 O95819 1/20 0.36
HDAC1 Q13547 1/20 0.35
TSHR P16473 1/20 0.34
NR1H2 P55055 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ENPP2 Q13822 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL17867678 1.00 SETD7 (0.37) SETD7GPR119MAP4K4HDAC1TSHR
SCHEMBL13825882 0.82 SETD7 (0.40) SETD7GPR119MAP4K4HDAC1NR1H2
SCHEMBL5156061 0.82 SETD7 (0.40) SETD7GPR119MAP4K4HDAC1NR1H2
SCHEMBL28068816 0.81 SIGMAR1 (0.33) TSHRSMN1; SMN2
SCHEMBL16400400 0.81 SIGMAR1 (0.33) TSHRSMN1; SMN2
SCHEMBL25873549 0.79 SETD7 (0.41) SETD7GPR119MAP4K4HDAC1TSHR
SCHEMBL13895338 0.79 SETD7 (0.41) SETD7GPR119MAP4K4HDAC1TSHR
SCHEMBL19504105 0.79 SETD7 (0.41) SETD7GPR119MAP4K4HDAC1TSHR
SCHEMBL2221960 0.78 CHRM2 (0.49) SMN1; SMN2ALDH1A1CHRM2CHRM4CHRM1
SCHEMBL19107780 0.78 HSD11B1 (0.40) SETD7GPR119MAP4K4HDAC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022202-B1 AUTOTAXIN INHIBITORS COMPRISING A HETEROAROMATIC RING-BENZYL-AMIDE-CYCLE CORE NOVARTIS AG (CH) 2019-05-15 EP disclosed
US-10183025-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2019-01-22 US disclosed
US-20180021345-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2018-01-25 US disclosed
US-9763957-B2 Autotaxin inhibitors NOVARTIS AG (CH) 2017-09-19 US disclosed
US-20160184318-A1 AUTOTAXIN INHIBITORS NOVARTIS AG (CH) 2016-06-30 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-20160184318-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI SETD7 4786/4885GPR119 2816/4885MAP4K4 3228/4885
US-20180021345-A1 AUTOTAXIN INHIBITORS ENPP2, SERPINB1, TFPI SETD7 4786/4885GPR119 2816/4885MAP4K4 3228/4885
US-10183025-B2 Autotaxin inhibitors ENPP2, SERPINB1, TFPI SETD7 4786/4885GPR119 2816/4885MAP4K4 3228/4885

“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.