SCHEMBL8962253

SCHEMBL8962253

CN(C(=O)CC(C)(C)C)C(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 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
SCHEMBL23521538 0.78 TSHR (0.30)
SCHEMBL680882 0.78 ALDH1A1 (0.40) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL23518445 0.78 HMGCR (0.33) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL20220965 0.77
SCHEMBL13386672 0.76
SCHEMBL2757994 0.76 TDP1 (0.40)
SCHEMBL5174067 0.76 ALDH1A1 (0.39) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL14727208 0.76 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL1515322 0.76 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1A
SCHEMBL12083942 0.76 HMGCR (0.32) HMGCRCHRM1TBXA2RADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. 2024-07-04 US disclosed
US-20240066141-A1 LINKERS, CONJUGATES AND APPLICATIONS THEREOF GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2024-02-29 US disclosed
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS FIREFLY BIO, INC. 2024-02-29 US disclosed
US-11826432-B2 Linkers, conjugates and applications thereof GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2023-11-28 US disclosed
US-11564974-B2 Combination therapy with controlled-release CNP agonists ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2023-01-31 US disclosed
US-20220409700-A1 CONTROLLED-RELEASE CNP AGONISTS WITH REDUCED SIDE-EFFECTS ASCENDIS PHARMA GROWTH DISORDERS AS (DK) 2022-12-29 US disclosed
US-20220395581-A1 LINKERS, CONJUGATES AND APPLICATIONS THEREOF GENEQUANTUM HEALTHCARE (SUZHOU) CO., LTD. (CN) 2022-12-15 US disclosed
US-20220211817-A1 CONTROLLED-RELEASE CNP AGONISTS WITH LOW NPR-C BINDING ASCENDIS PHARMA GROWTH DISORDERS AS (DK) 2022-07-07 US disclosed
US-20220143194-A1 SELENIUM ANTIBODY CONJUGATES REGENERON PHARMACEUTICALS, INC. 2022-05-12 US disclosed
US-11311604-B2 Controlled-release CNP agonists with low NPR-C binding ASCENDIS PHARMA GROWTH DISORDERS A/S (DK) 2022-04-26 US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 US disclosed
US-8557765-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2013-10-15 US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 US disclosed
US-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MNK 2011 LLC (F/K/A MALLINCKRODT INC.) 2009-12-17 US disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 US disclosed
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
US-7550431-B2 Spatially-defined macrocycles incorporating peptide bond surrogates TRANZYME PHARMA INC. (CA) 2009-06-23 US disclosed
US-20090124602-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 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 (15 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-20220409700-A1 CONTROLLED-RELEASE CNP AGONISTS WITH REDUCED SIDE-EFFECTS CNP, NPR1, NTSR2 HMGCR 2178/4885CHRM1 106/4885TBXA2R 179/4885
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C HMGCR 2218/4885CHRM1 3521/4885TBXA2R 3907/4885
US-20090312540-A1 SPATIALLY-DEFINED MACROCYCLES INCORPORATING PEPTIDE BOND SURROGATES MLNR, GIPR, GRPR HMGCR 4756/4885CHRM1 2979/4885TBXA2R 547/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885
US-20090124602-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885
US-20240218011-A1 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF NR3C1, NR3C2, MC2R HMGCR 978/4885CHRM1 1642/4885TBXA2R 165/4885
US-11826432-B2 Linkers, conjugates and applications thereof CD44, EPCAM, MSN HMGCR 2201/4885CHRM1 2645/4885TBXA2R 2515/4885
US-20240066141-A1 LINKERS, CONJUGATES AND APPLICATIONS THEREOF CD44, EPCAM, MSN HMGCR 2201/4885CHRM1 2645/4885TBXA2R 2515/4885
US-20220143194-A1 SELENIUM ANTIBODY CONJUGATES SCLY, SELENOI, GPX1 HMGCR 1556/4885CHRM1 4399/4885TBXA2R 4697/4885
US-20220211817-A1 CONTROLLED-RELEASE CNP AGONISTS WITH LOW NPR-C BINDING NPR1, NPR3, NPSR1 HMGCR 2106/4885CHRM1 249/4885TBXA2R 246/4885
US-11311604-B2 Controlled-release CNP agonists with low NPR-C binding NPR1, NPR3, NPSR1 HMGCR 2106/4885CHRM1 249/4885TBXA2R 246/4885
US-20220395581-A1 LINKERS, CONJUGATES AND APPLICATIONS THEREOF CD44, EPCAM, MSN HMGCR 2201/4885CHRM1 2645/4885TBXA2R 2515/4885
US-20240067640-A1 PHENYL MALEIMIDE LINKER AGENTS TPX2, H1-4, MAPT HMGCR 3765/4885CHRM1 39/4885TBXA2R 3578/4885
US-11564974-B2 Combination therapy with controlled-release CNP agonists CNP, NPR1, NGF HMGCR 2325/4885CHRM1 427/4885TBXA2R 248/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 HMGCR 1907/4885CHRM1 4731/4885TBXA2R 1420/4885

“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.