SCHEMBL4120941

SCHEMBL4120941

O=C(O)C[C@H]1CCC[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.44
SLC6A11 P48066 5/20 0.44
SLC6A13 Q9NSD5 5/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
PTGS1 P23219 11/20 0.41
PTGS2 P35354 10/20 0.41
MT-CO1 P00395 1/20 0.41
MT-CO2 P00403 1/20 0.41
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 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
SCHEMBL15616801 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL9294224 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4120948 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4120944 1.00 SLC6A12 (0.44) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4112859 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL7323358 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4112861 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL19336874 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4127933 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2
SCHEMBL4112857 0.95 CA1 (0.46) SLC6A12SLC6A11SLC6A13CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318690-A1 Benzisoxazole Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-12-24 US disclosed
EP-2017275-A1 BENZISOXAZOLE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2009-01-21 EP 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-20090318690-A1 Benzisoxazole Compound NR1I2, NR1I3, NR0B1 SLC6A12 2207/4885SLC6A11 179/4885SLC6A13 239/4885

“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.