SCHEMBL30049089

SCHEMBL30049089

CC(C)(C)CCN1CCC2(CC1)CCN(S(=O)(=O)c1ccc(C(F)(F)F)nc1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 5/20 0.42
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ SSTR5 P35346 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TRPV4 Q9HBA0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38

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
SCHEMBL27161880 1.00 CYP2D6 (0.42) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL30048779 0.94 CYP3A4 (0.39) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL27162592 0.94 CYP3A4 (0.39) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL27161860 0.89 CYP3A4 (0.46) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL30050265 0.89 CYP3A4 (0.46) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL30049132 0.88 CYP2D6 (0.43) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL27162687 0.88 CYP2D6 (0.43) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL27162956 0.87 ALDH1A1 (0.57) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL30049556 0.87 CYP2D6 (0.50) CYP2D6TSHRALDH1A1NAMPTCYP3A4
SCHEMBL27161599 0.87 CYP2D6 (0.50) CYP2D6TSHRALDH1A1NAMPTCYP3A4

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-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP claimed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — WO claimed
US-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands ACONDICIONAMIENTO TARRASENSE (ES) 2024-08-01 — — US disclosed
EP-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP disclosed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — 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-20240254115-A1 New Pyridine-Sulfonamide Derivatives as Sigma Ligands SIGMAR1, TMEM97, OPRD1 CYP2D6 514/4885TSHR 540/4885ALDH1A1 1011/4885

“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.

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