SCHEMBL4179330

SCHEMBL4179330

N[C@@H]1CCCCN1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
DPP7 Q9UHL4 3/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CHRM2 P08172 8/20 0.35
CHRM4 P08173 8/20 0.35
CHRM5 P08912 8/20 0.35
CHRM1 P11229 8/20 0.35
CHRM3 P20309 8/20 0.35
DPP4 P27487 5/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL385022 1.00 GAA (0.36) GAAHPGDDPP7CA12CA1
SCHEMBL30443171 0.98 CHRM2 (0.37) GAAHPGDDPP7CA12CA1
SCHEMBL21773024 0.93
SCHEMBL19408961 0.93
SCHEMBL3488662 0.93
Glycine SCHEMBL4955985 0.90 DPP4 (0.39) DPP7CHRM2CHRM4CHRM5CHRM1
Alanine SCHEMBL4955495 0.87 DPP4 (0.44) DPP7CHRM2CHRM4CHRM5CHRM1
SCHEMBL21296547 0.83
Serine SCHEMBL4955395 0.83 DPP7 (0.40) DPP7CHRM2CHRM4CHRM5CHRM1
SCHEMBL4002060 0.82 GAA (0.36) GAAHPGDDPP7CA12CA1

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
WO-2018103058-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHODS OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2018-06-14 WO disclosed
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 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-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 GAA 466/4885HPGD 419/4885DPP7 812/4885

“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.