SCHEMBL5090357

SCHEMBL5090357

CC(C)(C)OC(=O)N1CCc2c(OCc3ccccc3)ccc(Br)c2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.45
PTGDR2 Q9Y5Y4 7/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ESR2 Q92731 1/20 0.42
YAP1 P46937 2/20 0.42
MAPK1 P28482 1/20 0.42
TLR9 Q9NR96 2/20 0.42
TLR7 Q9NYK1 2/20 0.42
STS P08842 1/20 0.41
BCHE P06276 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL30329765 1.00 P2RX3 (0.45) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL24383529 0.88 P2RX3 (0.46) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL30200681 0.88 P2RX3 (0.45) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL17798555 0.86 ALDH1A1 (0.43) PTGDR2
SCHEMBL22279025 0.85 P2RX3 (0.43) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL17798385 0.85 PTGDR2 (0.44) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL30838655 0.85 PTGDR2 (0.44) P2RX3PTGDR2HDAC1HDAC6TMEM97
SCHEMBL19667217 0.84 PTGDR2 (0.46) P2RX3PTGDR2ESR2TLR9TLR7
SCHEMBL5442181 0.84 ESR2 (0.42) P2RX3PTGDR2HDAC1HDAC6ESR2
SCHEMBL17798306 0.82 P2RX3 (0.40) P2RX3HDAC1HDAC6BCHEHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263491-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2025-08-21 US disclosed
US-20250213685-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2025-07-03 US disclosed
US-20250177374-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2025-06-05 US disclosed
EP-4401729-A1 BCL-XL DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-24 EP disclosed
EP-4364754-A2 ANTI-B7-H3 ANTIBODIES AND ANTIBODY DRUG CONJUGATES AbbVie Inc. (US) 2024-05-08 EP disclosed
US-20240058450-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same ABBVIE INC (US) 2024-02-22 US disclosed
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-05-04 US disclosed
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC (US) 2023-04-20 US disclosed
WO-2016094517-A1 BCL-XL INHIBITORY COMPOUNDS AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
WO-2016094517-A1 BCL-XL INHIBITORY COMPOUNDS AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
WO-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
WO-2016094509-A1 BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 US disclosed
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 EP disclosed
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 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 (8 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-20250213685-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 P2RX3 4120/4885PTGDR2 2114/4885HDAC1 3668/4885
US-20230135723-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 P2RX3 3527/4885PTGDR2 2189/4885HDAC1 3380/4885
US-20250263491-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES EGFR, ERBB2, ERBB3 P2RX3 4120/4885PTGDR2 2114/4885HDAC1 3668/4885
US-20230120736-A1 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES CD99, SLC3A2, CD63 P2RX3 3527/4885PTGDR2 2189/4885HDAC1 3380/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA P2RX3 1934/4885PTGDR2 234/4885HDAC1 227/4885
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX P2RX3 4576/4885PTGDR2 3290/4885HDAC1 764/4885
US-20250177374-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 P2RX3 4659/4885PTGDR2 2637/4885HDAC1 2039/4885
US-20240058450-A1 BCL-XL Inhibitory Compounds Having Low Cell Permeability and Antibody Drug Conjugates Including the Same BCL2, BAX, BCL9 P2RX3 4659/4885PTGDR2 2637/4885HDAC1 2039/4885

“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.