SCHEMBL18668331

SCHEMBL18668331

C[C@@](CC=O)(NC(=O)O)c1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
PTGFR P43088 5/20 0.35
AR P10275 1/20 0.34
RBP4 P02753 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
RAB9A P51151 5/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 4/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DGAT1 O75907 1/20 0.32
FPR2 P25090 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL15187901 0.85 AAK1 (0.47) PTGDR2AAK1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9953037 0.85 PTGDR2 (0.40) PTGDR2PTGFRARRBP4AAK1
SCHEMBL15822741 0.83 AAK1 (0.33) AAK1
SCHEMBL16428016 0.81 PTGDR2 (0.38) PTGDR2PTGFRARRBP4AAK1
SCHEMBL12614400 0.79 PTGDR2 (0.40) PTGDR2PTGFRARRBP4AAK1
SCHEMBL15902958 0.77 BACE1 (0.31)
SCHEMBL15902955 0.77 BACE1 (0.31)
SCHEMBL15902960 0.77 BACE1 (0.31)
SCHEMBL28466237 0.77 BACE1 (0.31)
SCHEMBL16462659 0.76 PTGDR2 (0.33) PTGDR2PTGFRARRBP4AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
US-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2018-11-22 US disclosed
EP-3353163-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES Janssen Pharmaceutica, N.V. (BE) 2018-08-01 EP disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO 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-20180334447-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES BACE1, BACE2, APP PTGDR2 1444/4885PTGFR 1733/4885AR 4625/4885

“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.