SCHEMBL17754371

SCHEMBL17754371

O=C(NC1(C(=O)O)CCCCC1)OC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.49
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
FAAH O00519 3/20 0.41
MGLL Q99685 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
IDO1 P14902 1/20 0.34

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
SCHEMBL16312549 0.87 EPHX1 (0.37) EPHX1CYP2C19MAPTFAAHMGLL
SCHEMBL5077545 0.83 EPHX1 (0.44) EPHX1CYP2C19MAPTFAAHMGLL
SCHEMBL16312544 0.81 MAPT (0.38) EPHX1CYP2C19MAPTMEN1KMT2A
SCHEMBL17684002 0.77 EPHX1 (0.47) EPHX1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL8928025 0.77 EPHX1 (0.50) EPHX1CYP2C19MAPTFAAHMGLL
SCHEMBL5076668 0.76 EPHX1 (0.41) EPHX1CYP2C19MAPTSMN1; SMN2ALDH1A1
SCHEMBL7100758 0.76 MAPT (0.41) MAPTFAAHALDH1A1L3MBTL1CNR2
SCHEMBL755311 0.74 MAPT (0.39) MAPTFAAHCYP1A2ALDH1A1L3MBTL1
SCHEMBL5111553 0.73 HDAC8 (0.47) EPHX1MAPTTSHRCNR1CNR2
SCHEMBL1842644 0.73 HDAC8 (0.47) EPHX1MAPTTSHRCNR1CNR2

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
US-9636346-B2 Alpha-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2017-05-02 US disclosed
US-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU KOGYO CO LTD (JP) 2016-12-29 US disclosed
US-9481707-B2 α-oxoacyl amino-caprolactam derivative SEIKAGAKU CORPORATION (JP) 2016-11-01 US disclosed
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE SEIKAGAKU CORPORATION (JP) 2016-05-19 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 (2 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-20160375031-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE OGFRL1, ARGLU1, COL1A1 EPHX1 3306/4885CYP2C19 2361/4885MAPT 4436/4885
US-20160137691-A1 ALPHA-OXOACYL AMINO-CAPROLACTAM DERIVATIVE COL2A1, ARGLU1, COL1A1 EPHX1 3356/4885CYP2C19 1857/4885MAPT 4509/4885

“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.