Sugi Predict

Sugi Predict / Compounds / SCHEMBL430023

SCHEMBL430023

SCHEMBL430023

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
SCHEMBL430336 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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879891-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-23 — — EP claimed
EP-1877410-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY Nycomed GmbH (DE) 2008-01-16 — — EP claimed
WO-2006117315-A1 MUTUAL PRODRUG COMPOUNDS FOR USE AS ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECCTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 — — WO claimed
WO-2006117316-A1 MUTUAL PRODRUG COMPOUNDS FOR USE US ANTIINFLAMMATORY AGENTS WITH GASTROINTESTINAL PROTECTIVE ACTIVITY NYCOMED GMBH (DE) 2006-11-09 — — WO claimed
US-20060154954-A1 Combinations and use of selected pharmaceutically active compounds ALTANA PHARMA AG (DE) 2006-07-13 — — US claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 — — CN claimed
EP-1599175-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA Pharma AG (DE) 2005-11-30 — — EP claimed
WO-2005074930-A1 PHARMACEUTICAL COMBINATIONS OF (S) -PANTOPRAZOLE WITH NSAID OR CORTICOSTEROIDS ALTANA PHARMA AG (DE) 2005-08-18 — — WO claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN claimed
US-20040242597-A1 Combination NYCOMED GMBH (DE) 2004-12-02 — — US claimed
WO-2004071391-A2 IMIDAZOPYRIDINES CONTAINING COMBINATIONS AND THEIR USE IN TREATING GASTROINTESTINAL INFLAMMATORY DISORDERS ALTANA PHARMA AG (DE) 2004-08-26 — — WO claimed
EP-1429807-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA Pharma AG (DE) 2004-06-23 — — EP claimed
WO-2003024489-A2 COMBINATION OF A NSAID AND A PDE-4 INHIBITOR ALTANA PHARMA AG (DE) 2003-03-27 — — WO claimed
US-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS CYTOKINETICS INC (US) 2022-10-20 — — US disclosed
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-13 — — US disclosed
US-4987153-A ANTIEDEMIC, ANTIINFLAMMATORY ROUSSEL UCLAF (FR) 1991-01-22 — — US disclosed
EP-0210909-B1 ALKYLAMINO AMIDES AND THEIR SALTS, THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1990-03-21 — — EP disclosed
US-4782075-A ANTIINFLAMMATORY, ANTIEDEMIC ROUSSEL UCLAF (FR) 1988-11-01 — — US disclosed
EP-0210909-A1 Alkylamino amides and their salts, their preparation, their use as medicaments and compositions containing them ROUSSEL-UCLAF (FR) 1987-02-04 — — 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 (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-20220332708-A1 SULFONAMIDE COMPOUNDS AS CARDIAC SARCOMERE ACTIVATORS TNNT2, TNNI3, MYLK2 SLC18A3 2465/4885SIGMAR1 2376/4885KDM1A 3092/4885
US-11059818-B2 Triazolopyridine inhibitors of myeloperoxidase MPO, NOX5, SERPINB1 SLC18A3 3609/4885SIGMAR1 2852/4885KDM1A 1396/4885

“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.