Sugi Predict

Sugi Predict / Compounds / SCHEMBL430336

SCHEMBL430336

SCHEMBL430336

N[C@H]1CC[C@@H](c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ KDM1A O60341 10/20 0.48
▸ MAOB P27338 10/20 0.48
▸ MAOA P21397 8/20 0.48
▸ RCOR1 Q9UKL0 2/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ GRIN2B Q13224 1/20 0.47
▸ CYP2C19 P33261 5/20 0.46
▸ CYP2B6 P20813 3/20 0.46
▸ CYP2D6 P10635 3/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ CYP2A6 P11509 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ HTR2C P28335 1/20 0.46

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
SCHEMBL51322 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL22136958 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL430023 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL10849250 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL4040775 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL15319877 0.98 SLC18A3 (0.52) SLC18A3SIGMAR1KDM1AMAOBMAOA
Hydrochloric Acid SCHEMBL4534403 0.95 SLC18A3 (0.50) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL8593886 0.91 SLC18A3 (0.47) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL20246767 0.88 SLC18A3 (0.44) SLC18A3SIGMAR1KDM1AMAOBMAOA
SCHEMBL9912076 0.87 NPC1 (0.59) SLC18A3SIGMAR1KDM1AMAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999450-B Immunomodulator 弗莱塞斯生物科学公司 2021-07-09 — — CN disclosed
EP-3215142-B1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2021-03-24 — — EP disclosed
CN-108026036-B Process for preparing biguanide salts and s-triazines 拜耳作物科学股份公司 2020-10-02 — — CN disclosed
WO-2020108579-A1 AMINO-SUBSTITUTED PYRIDONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL USE THEREOF 上海海雁医药科技有限公司 2020-06-04 — — WO disclosed
EP-3347342-B1 METHOD FOR THE PREPARATION OF BIGUANIDINE SALTS AND S-TRIAZINES BAYER CROPSCIENCE AG (DE) 2019-04-24 — — EP disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 — — US disclosed
US-20190040019-A1 PROCESS FOR PRODUCING BIGUANIDINE SALTS AND S-TRIAZINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 — — US disclosed
US-20180325889-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2018-11-15 — — US disclosed
EP-3347342-A1 METHOD FOR PRODUCING BIGUANIDE SALTS AND S-TRIAZINES Bayer CropScience Aktiengesellschaft (DE) 2018-07-18 — — EP disclosed
CN-108026036-A The method for preparing Guanoctine and s-triazine 拜耳作物科学股份公司 2018-05-11 — — CN disclosed
WO-2008142454-A1 BICYCLIC ARYL AND HETEROARYL COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2008-11-27 — — WO disclosed
US-7304076-B2 Neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-04 — — US disclosed
US-7304076-B2 Neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-04 — — US disclosed
US-5852023-A Cyclohexylamino and cycloalkoxy nitrogen heterocycles, processes for their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-12-22 — — US disclosed
US-5723450-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1998-03-03 — — US disclosed
EP-0817774-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1998-01-14 — — EP disclosed
US-5650417-A Substituted pyridines, their preparation, and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-07-22 — — US disclosed
WO-1996030345-A1 CYCLOHEXYLAMINO AND CYCLOHEXYLALKOXY NITROGEN HETEROCYCLES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-10-03 — — WO disclosed
EP-0719255-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 — — EP disclosed
WO-1995007890-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 — — 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 (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-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT SLC18A3 1890/4885SIGMAR1 3940/4885KDM1A 1305/4885
US-20180325889-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT SLC18A3 1890/4885SIGMAR1 3940/4885KDM1A 1305/4885
US-20190040019-A1 PROCESS FOR PRODUCING BIGUANIDINE SALTS AND S-TRIAZINES SRM, SMS, GMPS SLC18A3 3894/4885SIGMAR1 301/4885KDM1A 3705/4885

“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.