SCHEMBL17448116

SCHEMBL17448116

CN(C[C@@H]1CNCCO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.35
SLC6A3 Q01959 9/20 0.35
SLC6A4 P31645 8/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
ADRA2C P18825 1/20 0.35
BRD4 O60885 1/20 0.32
SSTR4 P31391 1/20 0.32
CHEK1 O14757 1/20 0.32
USP30 Q70CQ3 1/20 0.32
KIF11 P52732 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
SCHEMBL17448117 1.00 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL23556116 0.87 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21070491 0.85 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21069484 0.85 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21111181 0.81 SLC6A2 (0.34) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL10512462 0.80 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL1633115 0.80 SSTR4 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL3102536 0.80 SSTR4 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL2767957 0.80 SSTR4 (0.35) SLC6A2SLC6A3SLC6A4ADRB2HTR1A
SCHEMBL21069498 0.79 SLC6A4 (0.34) SLC6A2SLC6A3SLC6A4ADRB2HTR1A

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-9694016-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2017-07-04 US disclosed
US-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2016-02-11 US disclosed
US-9242969-B2 Biaryl amide compounds as kinase inhibitors NOVARTIS AG (CH) 2016-01-26 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 (1 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-20160038504-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS BRAF, RAF1, NRAS SLC6A2 4274/4885SLC6A3 4126/4885SLC6A4 4727/4885

“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.