SCHEMBL1788955

SCHEMBL1788955

COc1ccc2[nH]c(C=O)cc2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CYP1A2 P05177 3/20 0.35
KMT2A Q03164 2/20 0.35
BTK Q06187 1/20 0.35
ERN1 O75460 2/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 2/20 0.34
CLK1 P49759 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
RAF1 P04049 2/20 0.33
DYRK1A Q13627 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL29956124 1.00 CYP2A6 (0.42) CYP2A6SIRT2SIRT1CYP1A2KMT2A
SCHEMBL31053433 0.84 SIRT2 (0.41) SIRT2SIRT1CYP1A2KMT2AALDH1A1
SCHEMBL25434391 0.78 CYP2A6 (0.46) CYP2A6ADORA2AADORA1
SCHEMBL30552801 0.78 CYP2A6 (0.46) CYP2A6ADORA2AADORA1
SCHEMBL16852954 0.78 CYP2A6 (0.46) CYP2A6CYP1A2KMT2AERN1ALDH1A1
SCHEMBL5716787 0.77 CLK1 (0.41) CYP2A6SIRT2SIRT1KMT2AALDH1A1
SCHEMBL12614229 0.76 SIRT2 (0.46) SIRT2SIRT1CYP1A2KMT2AALDH1A1
SCHEMBL29377868 0.76 AXL (0.49) CYP2A6SIRT2SIRT1CYP1A2KMT2A
SCHEMBL9959317 0.76 AXL (0.49) CYP2A6SIRT2SIRT1CYP1A2KMT2A
SCHEMBL29956779 0.76 LOXL2 (0.42) CYP2A6CYP1A2ALDH1A1MAPTLOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250171459-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMA (US) 2025-05-29 US disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
WO-2023154344-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 WO disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP disclosed
WO-2010013595-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE 萬有製薬株式会社 (JP) 2010-02-04 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 (3 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-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB CYP2A6 4677/4885SIRT2 4484/4885SIRT1 4582/4885
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 CYP2A6 153/4885SIRT2 3255/4885SIRT1 2633/4885
US-20250171459-A1 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PDXK, PNLIP CYP2A6 4589/4885SIRT2 4060/4885SIRT1 4518/4885

“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.