SCHEMBL7265649

SCHEMBL7265649

COC(N)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
EPHX1 P07099 1/20 0.46
TAAR1 Q96RJ0 3/20 0.43
SLC6A2 P23975 2/20 0.43
CYP2A6 P11509 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HTR2A P28223 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MMP12 P39900 1/20 0.42
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42

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
SCHEMBL14344143 0.80 METAP2 (0.46) ANPEPERAP1ERAP2TAAR1SLC6A2
SCHEMBL3125247 0.80 METAP2 (0.46) ANPEPERAP1ERAP2TAAR1SLC6A2
SCHEMBL14344121 0.80 METAP2 (0.46) ANPEPERAP1ERAP2TAAR1SLC6A2
SCHEMBL13074081 0.78 MMP12 (0.57) ANPEPERAP1ERAP2TAAR1MMP12
SCHEMBL873038 0.78 MMP12 (0.45) ANPEPERAP1ERAP2TAAR1CYP2A6
SCHEMBL4950704 0.78 EPHX1 (0.62) ANPEPEPHX1TAAR1SLC6A2CYP2A6
SCHEMBL479459 0.78 EPHX1 (0.62) ANPEPEPHX1TAAR1SLC6A2CYP2A6
SCHEMBL4950924 0.78 EPHX1 (0.62) ANPEPEPHX1TAAR1SLC6A2CYP2A6
SCHEMBL3071330 0.78 METAP2 (0.47) ANPEPERAP1ERAP2EPHX1TAAR1
SCHEMBL13626178 0.77 TSHR (0.46) SMN1; SMN2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
US-6646093-B2 Extruding auxiliary for cement materials, a mortar thickening agent, an underwater concrete thickening agent, a ceramics forming binder and a moisturizer for hair cosmetics; water and shape retention. MITSUI CHEMICALS, INC. (JP) 2003-11-11 US disclosed
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof MITSUI TAKEDA CHEMICALS, INC. (JP) 2002-04-18 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L ANPEP 4237/4885ERAP1 1891/4885ERAP2 1584/4885
US-20020045724-A1 Water-souluble polyurthane having comb-shaped hydrophobic group and application thereof BMI1, ASH2L, HAT1 ANPEP 4720/4885ERAP1 4614/4885ERAP2 4558/4885

“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.