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SCHEMBL5557911

SCHEMBL5557911

Cc1ccccc1N1C(=O)N(C)CC12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.51
▸ USP2 O75604 12/20 0.51
▸ CYP3A4 P08684 9/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ TSHR P16473 9/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2D6 P10635 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ CYP1A2 P05177 3/20 0.45

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
SCHEMBL5558355 0.89 USP2 (0.49) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5557624 0.86 USP2 (0.49) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5559718 0.86 USP2 (0.47) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5557640 0.85 TSHR (0.50) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5553263 0.85 USP2 (0.46) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5559635 0.84 USP2 (0.46) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5559869 0.84 USP2 (0.44) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5553277 0.80 CYP3A4 (0.51) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5553360 0.79 CYP3A4 (0.53) HIF1AUSP2CYP3A4HSD17B10TSHR
SCHEMBL5559709 0.77 USP2 (0.47) HIF1AUSP2CYP3A4HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HIF1A 922/4885USP2 3849/4885CYP3A4 3223/4885

“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.