SCHEMBL5010899

SCHEMBL5010899

O=C1NC[C@H](c2ccccc2Cl)C2(CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)O1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 9/20 0.47
CYP3A4 P08684 8/20 0.47
TSHR P16473 6/20 0.47
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HIF1A Q16665 3/20 0.45
CYP2D6 P10635 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 6/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2C19 P33261 2/20 0.43
OPRD1 P41143 1/20 0.42
TACR1 P25103 1/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 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
SCHEMBL5010897 1.00 USP2 (0.47) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5012610 0.89 TSHR (0.47) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL7220619 0.89 TSHR (0.47) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5012659 0.87 USP2 (0.43) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5012620 0.87 USP2 (0.43) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5012152 0.87 CYP3A4 (0.53) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5010920 0.87 CYP3A4 (0.53) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5012629 0.86 CYP3A4 (0.46) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5014232 0.86 CYP3A4 (0.46) USP2CYP3A4TSHRHSD17B10SMN1; SMN2
SCHEMBL5011010 0.86 CYP3A4 (0.44) USP2CYP3A4TSHRHSD17B10SMN1; SMN2

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-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.