SCHEMBL5553229

SCHEMBL5553229

Cc1ccccc1N1C(C)N(CCN2CCNCC2)C(=O)C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 7/20 0.43
HIF1A Q16665 1/20 0.41
TACR1 P25103 8/20 0.41
TSHR P16473 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.40
DDR1 Q08345 1/20 0.40
CYP2C19 P33261 1/20 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
SCHEMBL5553298 0.93 USP2 (0.45) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5553345 0.92 USP2 (0.45) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5557523 0.91 TACR1 (0.46) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5553312 0.86 USP2 (0.44) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5558259 0.85 TSHR (0.46) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5559575 0.85 USP2 (0.44) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5553393 0.84 HIF1A (0.49) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5556897 0.83 USP2 (0.42) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5557586 0.82 CYP3A4 (0.51) USP2HIF1ATACR1TSHRSMN1; SMN2
SCHEMBL5553280 0.80 CYP3A4 (0.52) USP2HIF1ATACR1TSHRSMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292596-B1 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-19 EP claimed
EP-1292596-A1 1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-19 EP claimed
US-6482829-B2 CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-11-19 US claimed
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 US claimed
WO-2001094346-A1 1,3,8-TRIAZA-SPIRO'4,5!DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-12-13 WO claimed
EP-1292596-B1 1,3,8-TRIAZA-SPIRO¬4,5 DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-19 EP disclosed
EP-1292596-A1 1,3,8-TRIAZA-SPIRO[4,5]DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-19 EP disclosed
US-6482829-B2 CENTRAL NERVOUS SYSTEM DISORDERS; HEEADACHES, ANTIINFLAMMATORY AGENTS HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor F. HOFFMANN-LA ROCHE AG (CH) 2002-01-17 US disclosed
WO-2001094346-A1 1,3,8-TRIAZA-SPIRO'4,5!DECAN-4-ONE DERIVATIVES AS NEUROKININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-12-13 WO 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-20020006932-A1 Substituted heterocyclic siprodecane compound active as an antagonist of neurokinin 1 receptor TACR1, TACR2, NPR1 USP2 3849/4885HIF1A 922/4885TACR1 1/4885

“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.