SCHEMBL2328771

SCHEMBL2328771

CC1(C)CC(C(=O)O)C(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.39
GAA P10253 2/20 0.36
ALOX15 P16050 3/20 0.35
CYP1A2 P05177 3/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
POLB P06746 2/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
EZH2 Q15910 1/20 0.33
GRM4 Q14833 4/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
Water SCHEMBL9727812 0.98 APLNR (0.38) APLNRGAAALOX15CYP1A2GRM2
SCHEMBL13225971 0.80 GAA (0.32) GAAALOX15CYP1A2GRM2GRM3
SCHEMBL13225975 0.80 GAA (0.32) GAAALOX15CYP1A2GRM2GRM3
SCHEMBL1363759 0.80 GAA (0.32) GAAALOX15CYP1A2GRM2GRM3
SCHEMBL8183184 0.78 SLC1A2 (0.43) APLNRALOX15CYP1A2GRM2GRM3
SCHEMBL21103429 0.77 CHRNB2 (0.33) GAAPOLBEZH2ALDH1A1
SCHEMBL3166773 0.77 ATM (0.36) GAACYP1A2POLBCYP2C19MEN1
SCHEMBL12729672 0.75
SCHEMBL29415981 0.74 APLNR (0.41) APLNRALOX15CYP1A2GRM2GRM3
SCHEMBL24783654 0.74 HSD17B10 (0.38) GAACYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115108969-A Efficient and migration-resistant antioxidant as well as preparation method and application thereof 华南理工大学 2022-09-27 CN claimed
CN-114609172-A Method for judging drying and storage effects of rice based on molecular motion 中南林业科技大学 2022-06-10 CN claimed
US-20250282702-A1 CHEMICAL PROCESS SYNGENTA CROP PROTECTION AG (CH) 2025-09-11 US disclosed
EP-4519236-A1 CHEMICAL PROCESS Syngenta Crop Protection AG (CH) 2025-03-12 EP disclosed
US-11827786-B2 Resin composition and article made therefrom ELITE ELECTRONIC MATERIAL (KUNSHAN) CO., LTD. (CN) 2023-11-28 US disclosed
WO-2023213926-A1 CHEMICAL PROCESS SYNGENTA CROP PROTECTION AG (CH) 2023-11-09 WO disclosed
US-20230339907-A1 PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2023-10-26 US disclosed
US-20230323057-A1 RADICAL CURABLE RESIN COMPOSITION, FIBER-REINFORCED MOLDING MATERIAL, AND MOLDED ARTICLE USING SAME DIC CORPORATION (JP) 2023-10-12 US disclosed
EP-4196469-A1 PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES Syngenta Crop Protection AG (CH) 2023-06-21 EP disclosed
EP-4174127-A1 RADICAL CURABLE RESIN COMPOSITION, FIBER-REINFORCED MOLDING MATERIAL, AND MOLDED ARTICLE USING SAME DIC Corporation (JP) 2023-05-03 EP disclosed
CN-113845460-B Curcumin derivative with photosensitive bactericidal activity, preparation method and fresh shrimp photodynamic sterilization and preservation method 浙江海洋大学 2023-02-14 CN disclosed
US-6410792-B1 OBESITY DISEASES BAYER CORPORATION 2002-06-25 US disclosed
US-6218452-B1 INCORPORATING THEREIN A COMPOUND HAVING AT LEAST ONE STERICALLY HINDERED AMINO GROUP CLARIANT FINANCE (BVI) LIMITED (VG) 2001-04-17 US disclosed
US-6048900-A FOR TREATING EATING DISORDERS, INSULIN RESISTANT DIABETES, HYPERTENSION, HYPERLIPEMIA BAYER CORPORATION (US) 2000-04-11 US disclosed
US-5932640-A STERICALLY HINDERED N,N*-BIS/TETRAMETHYL-4-PIPERIDINO/ISOPHTHALAMIDES CLARIANT FINANCE (BVI) LIMITED (VG) 1999-08-03 US disclosed
EP-0618256-A2 Improved dyeability of synthetic polyamide SANDOZ AG (CH) 1994-10-05 EP disclosed
US-5087752-A Oxidizing secondary amine CURATORS OF THE UNIVERSITY OF MISSOURI (US) 1992-02-11 US disclosed
EP-0379470-A2 Improved dyeability of synthetic polyamide SANDOZ AG (CH) 1990-07-25 EP disclosed
US-4925652-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1990-05-15 US disclosed
US-4845090-A NUCLEAR MAGNETIC RESONANCE SCHERING AKTIENGESELLSCHAFT (DE) 1989-07-04 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 (2 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-20230339907-A1 PROCESS FOR THE PREPARATION OF QUATERNIZED PYRIDAZINE DERIVATIVES DHPS, PDXK, NQO1 APLNR 4476/4885GAA 2066/4885ALOX15 1168/4885
US-20250282702-A1 CHEMICAL PROCESS CYP1A1, CYP3A4, CYP1B1 APLNR 4718/4885GAA 220/4885ALOX15 284/4885

“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.