Sugi Predict

Sugi Predict / Compounds / SCHEMBL1821813

SCHEMBL1821813

SCHEMBL1821813

CC(C)c1cccc(C(C)C)c1-n1ccn(-c2c(C(C)C)cccc2C(C)C)c1=[Pd]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ FAAH O00519 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GABRB1 P18505 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ GABRA5 P31644 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ GABRA2 P47869 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
Hydrochloric Acid SCHEMBL1819293 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
Hydrochloric Acid SCHEMBL28925989 0.98 GABRA1 (0.40) GABRA1GABRG2GABRB3TSHRGABRB2
Naphthoquinone SCHEMBL1820512 0.84 DPP4 (0.44) TSHRFAAHCA1CA2DPP4
Naphthoquinone SCHEMBL29639242 0.84 DPP4 (0.44) TSHRFAAHCA1CA2DPP4
SCHEMBL16267050 0.81 GABRA1 (0.43) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL1772757 0.81 CYP3A4 (0.34) TSHRCYP3A4ALDH1A1ALOX15
SCHEMBL1822642 0.80 ALDH1A1 (0.30) TSHRALDH1A1ALOX15
SCHEMBL16655509 0.79 DPP4 (0.45) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL22320712 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3TSHRGABRB2
SCHEMBL21723903 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3TSHRGABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115872998-B Preparation method of sildenafil and intermediate thereof 山东特珐曼药业有限公司 2024-09-20 — — CN claimed
CN-115872998-A Preparation method of sildenafil and intermediate thereof 山东特珐曼药业有限公司 2023-03-31 — — CN claimed
CN-113754579-A Preparation method of pyridine derivative 正大天晴药业集团股份有限公司 2021-12-07 — — CN claimed
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 — — US claimed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US claimed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 — — EP claimed
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH BAYER AKTIENGESELLSCHAFT (DE) 2025-12-02 — — US disclosed
CN-120152955-A Compositions comprising isomer mixtures of itaconimide norbornene and citraconimide norbornene 3M创新有限公司 2025-06-13 — — CN disclosed
CN-119173511-A Benzotriazole compounds 第一三共株式会社 2024-12-20 — — CN disclosed
CN-115557907-B 2,4, 5-Trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2024-12-06 — — CN disclosed
CN-115872998-B Preparation method of sildenafil and intermediate thereof 山东特珐曼药业有限公司 2024-09-20 — — CN disclosed
CN-118043308-A Bond formation method based on coupling reaction 中外制药株式会社 2024-05-14 — — CN disclosed
CN-112585126-B Process for preparing tetracyclic compounds 中外制药株式会社 2024-05-07 — — CN disclosed
EP-2316813-A1 Process for the preparation of amines Syngenta Participations AG (CH) 2011-05-04 — — EP disclosed
EP-2316814-A1 Process for preparation of halogen substituted benzonorbornenes derivatives Syngenta Participations AG (CH) 2011-05-04 — — EP disclosed
US-7781615-B2 Process for the preparation of amines SYNGENTA CROP PROTECTION, INC. (US) 2010-08-24 — — US disclosed
US-7737301-B2 Preparation of 2-bicyclopropyl-2-yl-phenylamine through catalyzing the dehydrochlorination in the presence of a palladium complex; cost efficiency; used as intermediates for the preparation of fungicides SYNGENTA CROP PROTECTION, INC. (US) 2010-06-15 — — US disclosed
US-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US disclosed
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES SYNGENTA CROP PROTECTION, INC. (US) 2009-09-03 — — US disclosed
EP-1931618-B1 PROCESS FOR THE PRODUCTION OF ANILINES SYNGENTA PARTICIPATIONS AG (CH) 2009-08-05 — — EP 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 (3 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-20090221855-A1 PROCESS FOR THE PRODUCTION OF ANILINES CBR3, C1S, C9 GABRA1 3973/4885GABRG2 4052/4885GABRB3 3192/4885
US-12486248-B2 2,4,5-trisubstituted 1,2,4-triazolones useful as inhibitors of DHODH DHODH, DHPS, DPYD GABRA1 4692/4885GABRG2 4798/4885GABRB3 4738/4885
US-20090221856-A1 PROCESS FOR THE PREPARATION OF AMINES HRH3, PAH, C1R GABRA1 1065/4885GABRG2 2278/4885GABRB3 905/4885

“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.