SCHEMBL5233554

SCHEMBL5233554

c1cnc2c(c1)NCCCC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.37
CYP19A1 P11511 2/20 0.33
FKBP5 Q13451 1/20 0.32
CRBN Q96SW2 1/20 0.32
CYP11B2 P19099 1/20 0.31
BCHE P06276 4/20 0.31
TBXAS1 P24557 1/20 0.31
IDH1 O75874 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA3 P34903 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL29429214 1.00 ACHE (0.37) ACHECYP19A1FKBP5CRBNCYP11B2
SCHEMBL29620683 0.94 BCHE (0.35) ACHECYP19A1CYP11B2BCHETBXAS1
SCHEMBL307955 0.94 BCHE (0.35) ACHECYP19A1CYP11B2BCHETBXAS1
SCHEMBL29550114 0.85
SCHEMBL157325 0.85
Carbamic Acid SCHEMBL16823528 0.84 KDM4E (0.41) CYP11B2BCHETBXAS1IDH1TDP1
Hydrochloric Acid SCHEMBL31159090 0.83 ALDH1A1 (0.35) ACHEBCHE
Hydrochloric Acid SCHEMBL27985804 0.83 ALDH1A1 (0.35) ACHEBCHE
Hydrochloric Acid SCHEMBL29651204 0.83 ALDH1A1 (0.35) ACHEBCHE
SCHEMBL28659623 0.77 CYP19A1 (0.32) ACHECYP19A1TBXAS1IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3703692-B1 NOVEL SUBSTITUTED TETRAHYDROQUINOLIN COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-07-23 EP disclosed
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2025-04-15 US disclosed
US-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. 2024-12-03 US disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
EP-3798220-B1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC (CN) 2023-08-23 EP disclosed
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-07-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof SHANGHAI ZHIMENG BIOPHARMA INC. (CN) 2022-06-21 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
CN-110511220-B P-diaminobenzene derivatives as potassium channel modulators, process for their preparation and their use in medicine 上海挚盟医药科技有限公司 2022-04-01 CN disclosed
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP SHIONOGI & CO., LTD. (JP) 2013-04-25 US disclosed
WO-2013052355-A1 AZAINDOLES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-04-11 WO disclosed
EP-2557082-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP Shionogi & Co., Ltd. (JP) 2013-02-13 EP disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
EP-0804440-B1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS WYETH CORP (US) 2007-12-19 EP disclosed
US-5719278-A TREATING EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1998-02-17 US disclosed
WO-1996022295-A9 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS 1996-11-14 WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 WO disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 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 (6 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-12157726-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 ACHE 1212/4885CYP19A1 2570/4885FKBP5 2319/4885
US-20130102583-A1 CEPHEM COMPOUND HAVING CATECHOL GROUP COMT, EZH1, SETD7 ACHE 680/4885CYP19A1 1989/4885FKBP5 4852/4885
US-20220227721-A1 P-PHENYLENEDIAMINE DERIVATIVE AS POTASSIUM CHANNEL REGULATOR AND PREPARATION METHOD AND MEDICAL APPLICATION THEREOF KCNJ2, KCNN2, KCNH2 ACHE 1212/4885CYP19A1 2570/4885FKBP5 2319/4885
US-11365181-B2 P-phenylenediamine derivative as potassium channel regulator and preparation method and medical application thereof KCNJ2, KCNN2, KCNH2 ACHE 1203/4885CYP19A1 2560/4885FKBP5 2329/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL ACHE 157/4885CYP19A1 2812/4885FKBP5 1894/4885
US-12275729-B2 Substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT ACHE 321/4885CYP19A1 674/4885FKBP5 789/4885

“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.