SCHEMBL29413697

SCHEMBL29413697

CC(C)Oc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Pd+2]

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D known ✓ P25100 4/20 0.33
ADRA1A known ✓ P35348 4/20 0.33
ADRA1B known ✓ P35368 4/20 0.33
DRD2 known ✓ P14416 3/20 0.33
HTR1A known ✓ P08908 1/20 0.32
ROCK2 known ✓ O75116 1/20 0.32
HTR2A known ✓ P28223 1/20 0.30
HTR2C known ✓ P28335 1/20 0.30
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PDE10A Q9Y233 1/20 0.35
MRGPRX1 Q96LB2 1/20 0.33
PTGS2 P35354 1/20 0.32
HTR7 P34969 1/20 0.32
MAPT P10636 2/20 0.31
MAPK1 P28482 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL30379139 0.92 CA1 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL29419722 0.92 CA1 (0.38) CA1CA2CA7CA9PDE10A
SCHEMBL16771 0.91 CA1 (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL29417696 0.90 CA1 (0.38) CA1CA2CA7CA9PDE10A
Hydrochloric Acid SCHEMBL29384717 0.90 CA1 (0.38) CA1CA2CA7CA9PDE10A
SCHEMBL29513049 0.90 CA1 (0.38) CA1CA2CA7CA9PDE10A
Benzene SCHEMBL27041778 0.90 PDE10A (0.39) CA1CA2CA7CA9PDE10A
SCHEMBL27155199 0.88 PDE10A (0.31) PDE10A
SCHEMBL17004954 0.88 PDE10A (0.31) PDE10A
SCHEMBL27889406 0.86 ROCK2 (0.36) CA1CA2CA7CA9PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421249-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-09-23 US disclosed
US-20240368180-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2024-11-07 US disclosed
US-11866446-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-01-09 US disclosed
EP-4204423-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2023-07-05 EP disclosed
US-20220106327-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-07 US disclosed
WO-2022047031-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-03-03 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 (4 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 ADRA1D 1584/4885ADRA1A 1945/4885ADRA1B 2044/4885
US-12421249-B2 Inhibitors of APOL1 and methods of using same APOL1, PNLIP, APOB ADRA1D 1584/4885ADRA1A 1945/4885ADRA1B 2044/4885
US-20240368180-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, PNLIP, APOB ADRA1D 1584/4885ADRA1A 1945/4885ADRA1B 2044/4885
US-11866446-B2 Inhibitors of APOL1 and methods of using same APOL1, PNLIP, APOB ADRA1D 1584/4885ADRA1A 1945/4885ADRA1B 2044/4885

“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.