SCHEMBL6534211

SCHEMBL6534211

O=C(NC1CCCCC1)OC(=O)C1CCCN1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 10/20 0.46
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
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
SCHEMBL8183116 0.84 ALDH1A1 (0.43) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10903240 0.80 NOS2 (0.40) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9737609 0.79 NOS2 (0.43)
SCHEMBL146828 0.78 NOS2 (0.46)
SCHEMBL995604 0.78 NOS2 (0.46)
SCHEMBL6859669 0.78 NOS2 (0.46)
SCHEMBL23458246 0.78 NOS2 (0.41) CYP3A4
SCHEMBL17676973 0.78 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5157107 0.78 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7265700 0.78 EPHX1 (0.48) EPHX1RAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds AMGEN INC. 2004-09-23 US disclosed
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-10-30 US disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
US-20020042442-A1 Ureas and carbamates of N-Heterocyclic carboxylic acids and carboxylic acid isosteres GUILFORD PHARMACEUTICALS (US) 2002-04-11 US disclosed
US-20020007075-A1 Ureas of N-heterocyclic carboxylic acids and carboxylic acid isosteres GLIAMED, INC. 2002-01-17 US disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1107754-A1 UREAS AND CARBAMATES OF N-HETEROCYCLIC CARBOXYLIC ACIDS AND ISOSTERES FOR VISION AND MEMORY DISORDERS GPI NIL Holdings, Inc. (US) 2001-06-20 EP disclosed
EP-1082301-A1 UREAS AND CARBAMATES OF N-HETEROCYCLIC CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES GPI NIL Holdings, Inc. (US) 2001-03-14 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-2000009125-A1 UREAS AND CARBAMATES OF N-HETEROCYCLIC CARBOXYLIC ACIDS AND ISOSTERES FOR VISION AND MEMORY DISORDERS GPI NIL HOLDINGS, INC. (US) 2000-02-24 WO disclosed
WO-1999062879-A1 UREAS AND CARBAMATES OF N-HETEROCYCLIC CARBOXYLIC ACIDS AND CARBOXYLIC ACID ISOSTERES GPI NIL HOLDINGS, INC. (US) 1999-12-09 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 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 (4 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-20040186098-A1 Method for preventing and treating hearing loss using sensorineurotrophic compounds GAP43, CHAT, MYOC EPHX1 1755/4885RAB9A 3521/4885NPC1 191/4885
US-20030203890-A1 Method for treating nerve injury caused as a result of surgery NGF, BDNF, GAP43 EPHX1 494/4885RAB9A 1331/4885NPC1 3186/4885
US-20020042442-A1 Ureas and carbamates of N-Heterocyclic carboxylic acids and carboxylic acid isosteres CPS1, OTC, NGF EPHX1 3135/4885RAB9A 2751/4885NPC1 998/4885
US-20020007075-A1 Ureas of N-heterocyclic carboxylic acids and carboxylic acid isosteres OTC, CPS1, ABAT EPHX1 2694/4885RAB9A 2876/4885NPC1 946/4885

“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.