SCHEMBL5012087

SCHEMBL5012087

CN(C)C(=O)CN1CC(c2ccccc2)C2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)OC1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.46
CYP3A4 P08684 4/20 0.46
TSHR P16473 4/20 0.46
TACR1 P25103 9/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 2/20 0.42
HIF1A Q16665 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5012079 0.89 USP2 (0.46) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5012076 0.89 USP2 (0.46) USP2CYP3A4TSHRTACR1HSD17B10
Hydrochloric Acid SCHEMBL5015432 0.88 USP2 (0.46) USP2CYP3A4TSHRTACR1HSD17B10
Hydrochloric Acid SCHEMBL7218385 0.88 USP2 (0.46) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5014308 0.86 USP2 (0.48) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5012086 0.86 USP2 (0.48) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5010933 0.84 USP2 (0.47) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5010932 0.84 USP2 (0.47) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5012057 0.84 CYP3A4 (0.52) USP2CYP3A4TSHRTACR1HSD17B10
SCHEMBL5012054 0.84 CYP3A4 (0.52) USP2CYP3A4TSHRTACR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390372-B1 1-OXA-3,9-DIAZA-SPIRO'5,5]UNDECAN-2-ONES DERIVATIVES AND ITS USE AS ANTAGONIST OF THE NEURIKININ RECEPTOR HOFFMANN LA ROCHE (CH) 2008-07-16 EP claimed
US-6599900-B2 Antiinflammatory agents; headaches; antiarthritic agents SYNTEX (U.S.A.) LLC 2003-07-29 US claimed
US-20030004163-A1 1-Oxa-3,9-diaza-spiro[5,5]undecan-2-ones SYNTEX (U.S.A) LLC 2003-01-02 US claimed
EP-1390372-B1 1-OXA-3,9-DIAZA-SPIRO'5,5]UNDECAN-2-ONES DERIVATIVES AND ITS USE AS ANTAGONIST OF THE NEURIKININ RECEPTOR HOFFMANN LA ROCHE (CH) 2008-07-16 EP disclosed
US-6599900-B2 Antiinflammatory agents; headaches; antiarthritic agents SYNTEX (U.S.A.) LLC 2003-07-29 US disclosed
US-20030004163-A1 1-Oxa-3,9-diaza-spiro[5,5]undecan-2-ones SYNTEX (U.S.A) LLC 2003-01-02 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-20030004163-A1 1-Oxa-3,9-diaza-spiro[5,5]undecan-2-ones OXER1, NR4A1, OXGR1 USP2 4097/4885CYP3A4 1472/4885TSHR 298/4885

“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.