SCHEMBL10220453

SCHEMBL10220453

CC(C)c1cc(C(C)(C)C)ncn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HMGCR P04035 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
SCHEMBL11960338 0.83 CYP3A4 (0.33) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL12340827 0.81 CA2 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL20122652 0.80 HMGCR (0.34) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL17816268 0.79 — —
SCHEMBL18699160 0.79 CYP3A4 (0.31) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL786348 0.78 NOS3 (0.36) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL278866 0.78 CA2 (0.37) —
SCHEMBL22856616 0.77 HMGCR (0.30) HMGCR
SCHEMBL19191786 0.73 PIK3CD (0.31) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL15859025 0.73 HPGD (0.33) TSHR

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 — — US disclosed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-11-02 — — US disclosed
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-09-12 — — US disclosed
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-08-31 — — US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 — — US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 — — US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 — — US disclosed
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2013-08-29 — — US disclosed
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 — — US disclosed
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2012-10-04 — — US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 — — US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 — — US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 — — US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 — — US disclosed
US-7384552-B2 Proton-conducting membrane and the use thereof BASF FUEL CELL GMBH (DE) 2008-06-10 — — US 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 (14 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-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP2D6 1921/4885TSHR 372/4885
US-11753411-B2 Substituted pyrazolo[1,5-a]pyrimidines as TYK2 pseudokinase ligands TYK2, JAK1, JAK2 CYP3A4 2825/4885CYP2D6 1865/4885TSHR 418/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP2D6 1921/4885TSHR 372/4885
US-20230271960-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA6, ITGA5 CYP3A4 4362/4885CYP2D6 3537/4885TSHR 3026/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CYP3A4 1831/4885CYP2D6 625/4885TSHR 1194/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP2D6 1921/4885TSHR 372/4885
US-20120252830-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP3A4 1933/4885CYP2D6 1432/4885TSHR 1971/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 CYP3A4 4464/4885CYP2D6 4827/4885TSHR 3456/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP2D6 1921/4885TSHR 372/4885
US-20230348478-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B CYP3A4 4276/4885CYP2D6 4203/4885TSHR 672/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF CYP3A4 4349/4885CYP2D6 4304/4885TSHR 2839/4885
US-20130131064-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 CYP3A4 2815/4885CYP2D6 1921/4885TSHR 372/4885
US-20130225619-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS FOR DISEASE TREATMENT CLN6, ALDH1A2, PDE6D CYP3A4 4047/4885CYP2D6 3441/4885TSHR 2420/4885
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS ITGA5, ITGAL, ITGB5 CYP3A4 4075/4885CYP2D6 3872/4885TSHR 793/4885

“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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