SCHEMBL5010917

SCHEMBL5010917

O=C1OC2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)[C@@H](c2ccccc2)CN1CCCN1CCC(O)C1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 8/20 0.45
TSHR P16473 6/20 0.42
CYP3A4 P08684 5/20 0.42
HSD17B10 Q99714 1/20 0.42
TACR1 P25103 7/20 0.41
CYP2C9 P11712 3/20 0.40
HIF1A Q16665 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL5010916 1.00 USP2 (0.45) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5012105 0.90 USP2 (0.48) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5012108 0.90 USP2 (0.48) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5012565 0.89 TACR1 (0.50) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5014228 0.89 HIF1A (0.47) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5014226 0.89 HIF1A (0.47) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5012567 0.89 TACR1 (0.50) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5010933 0.88 USP2 (0.47) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5010932 0.88 USP2 (0.47) USP2TSHRCYP3A4HSD17B10TACR1
SCHEMBL5014308 0.86 USP2 (0.48) USP2TSHRCYP3A4HSD17B10TACR1

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 5 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
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 4097/4885TSHR 298/4885CYP3A4 1472/4885

“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.