SCHEMBL4289909

SCHEMBL4289909

N[C@@H]1C[C@H](COc2ccc(F)cc2)N(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 1/20 0.41
NR1D1 P20393 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ABHD6 Q9BV23 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4305832 0.88 S1PR5 (0.41) S1PR5NR1D1KMT2AABHD6DAGLA
SCHEMBL3950648 0.88 NR1D1 (0.40) NR1D1KMT2AMEN1ABHD6DAGLA
SCHEMBL4298176 0.88 NR1D1 (0.40) NR1D1KMT2AMEN1ABHD6DAGLA
SCHEMBL3954880 0.87 GRIN2C (0.41) NR1D1KDM4EHTTALDH1A1GAA
SCHEMBL4292244 0.83 HDAC8 (0.42) NR1D1KMT2AMEN1POLB
SCHEMBL13662038 0.78 LTA4H (0.42)
SCHEMBL4303403 0.76 HPGD (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL3949957 0.76 ABHD6 (0.38) S1PR5NR1D1ABHD6DAGLAKDM4E
SCHEMBL2258523 0.76 ABHD6 (0.54) KMT2AABHD6DAGLAHCRTR1HCRTR2
SCHEMBL3945694 0.75 NR1D1 (0.41) NR1D1KMT2AMEN1ABHD6DAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF S1PR5 3088/4885NR1D1 1663/4885KMT2A 3612/4885

“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.