SCHEMBL3133675

SCHEMBL3133675

N[C@@H](COCc1ccccc1)C1OCCO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.49
TSHR P16473 1/20 0.44
SLC1A1 P43005 1/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
TAAR1 Q96RJ0 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
SCHEMBL13418947 0.83 TSHR (0.47) TACR1TSHRCA1CA2CA7
SCHEMBL2503023 0.82 TACR1 (0.50) TACR1TSHRSLC1A1CA1CA2
SCHEMBL3123916 0.78 EPHX1 (0.48) SLC1A1TAAR1
SCHEMBL3129213 0.78 EPHX1 (0.48) SLC1A1TAAR1
SCHEMBL3134409 0.75 ANPEP (0.42) TAAR1
Hydrochloric Acid SCHEMBL8817784 0.74 TACR1 (0.49) TACR1TSHRSLC1A1CA1CA2
SCHEMBL18580070 0.74 TACR1 (0.49) TACR1TSHRSLC1A1CA1CA2
SCHEMBL27605151 0.73 TACR1 (0.47) TACR1TSHRSLC1A1CA1CA2
SCHEMBL18394417 0.73 TACR1 (0.63) TACR1TSHRSLC1A1CA1CA2
SCHEMBL22013212 0.73 TACR1 (0.63) TACR1TSHRSLC1A1CA1CA2

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
EP-1491537-B1 HYDROXYMORPHOLINONE DERIVATIVE AND MEDICINAL USE THEREOF SENJU PHARMA CO (JP) 2010-07-07 EP disclosed
US-7223755-B2 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2007-05-29 US disclosed
US-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof SENJU PHARMACEUTICAL CO., LTD. (JP) 2005-08-11 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-20050176704-A1 Hydroxymorpholinone derivative and medicinal use thereof CAPN1, OPRM1, CAPN2 TACR1 153/4885TSHR 3400/4885SLC1A1 521/4885

“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.