SCHEMBL642470

SCHEMBL642470

CC(C)(C)OC(=O)c1ncc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
GABRG2 P18507 10/20 0.36
GABRB3 P28472 10/20 0.36
GABRA1 P14867 9/20 0.36
GABRA3 P34903 9/20 0.36
GABRA2 P47869 9/20 0.36
GABRA5 P31644 9/20 0.36
GABRA6 Q16445 7/20 0.36
GABRA4 P48169 5/20 0.36
GABRB2 P47870 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRE P78334 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
DGAT1 O75907 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7159196 0.81 ALDH1A1 (0.37) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL2669375 0.78 ALDH1A1 (0.35) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL658257 0.78 CYP4F2 (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5520484 0.78 ALDH1A1 (0.40) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL645688 0.77 KDM4E (0.55) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL31407736 0.77 KDM4E (0.55) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL27956784 0.76 GPR119 (0.38) ALDH1A1GABRG2GABRB3GABRA1GABRA3
Hydrochloric Acid SCHEMBL27420852 0.76 ALDH1A1 (0.39) ALDH1A1GABRG2GABRB3GABRA1GABRA3
SCHEMBL361254 0.74 AAK1 (0.45) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL18044633 0.74 AAK1 (0.38) ALDH1A1GABRG2GABRB3GABRA1GABRA3

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
EP-4695271-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA Merck Sharp & Dohme LLC (US) 2026-02-18 EP disclosed
EP-4658667-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY Merck Sharp & Dohme LLC (US) 2025-12-10 EP disclosed
EP-4647431-A1 COMPOUND AND METHOD FOR TARGETED DEGRADATION OF ANDROGEN RECEPTOR Gan & lee Pharm Co., Ltd. (CN) 2025-11-12 EP disclosed
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2025-04-10 US disclosed
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders ARDELYX, INC. (US) 2025-01-28 US disclosed
US-20250002489-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING ITK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. 2025-01-02 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
WO-2024215820-A2 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2024-10-17 WO disclosed
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY MERCK SHARP & DOHME LLC 2024-08-29 US disclosed
EP-4419520-A2 BIFUNCTIONAL COMPOUNDS FOR DEGRADING ITK VIA UBIQUITIN PROTEOSOME PATHWAY Nurix Therapeutics, Inc. (US) 2024-08-28 EP disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds PFIZER INC 2011-02-17 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
US-7842713-B2 Fused phenyl amido heterocyclic compounds PFIZER INC (US) 2010-11-30 US disclosed
EP-2010520-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES Pfizer Products Incorporated (US) 2009-01-07 EP disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS PFIZER INC. 2008-11-13 US disclosed
WO-2007122482-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS FOR THE PREVENTION AND TREATMENT OF GLUCOKINASE-MEDIATED DISEASES PFIZER PRODUCTS INC. (US) 2007-11-01 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 (7 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-20110039821-A1 Fused Phenyl Amido Heterocyclic Compounds GCK, GCKR, HK1 ALDH1A1 1370/4885GABRG2 3289/4885GABRB3 2966/4885
US-20250002489-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING ITK VIA UBIQUITIN PROTEOSOME PATHWAY ADRM1, PSMD7, UBQLN2 ALDH1A1 3007/4885GABRG2 3682/4885GABRB3 3781/4885
US-12209088-B2 Hormone receptor modulators for treating metabolic conditions and disorders NR1H4, FXR1, GLP1R ALDH1A1 2057/4885GABRG2 1001/4885GABRB3 1603/4885
US-20240287138-A1 CYCLIC PEPTIDES FOR INHIBITING TNF RECEPTOR 1 ACTIVITY TNF, TNFRSF1A, CD40 ALDH1A1 3774/4885GABRG2 2560/4885GABRB3 3105/4885
US-20080280875-A1 FUSED PHENYL AMIDO HETEROCYCLIC COMPOUNDS GCK, GCKR, HK1 ALDH1A1 1370/4885GABRG2 3289/4885GABRB3 2966/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 ALDH1A1 4472/4885GABRG2 1548/4885GABRB3 1550/4885
US-20250115608-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885GABRG2 1001/4885GABRB3 1603/4885

“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.