SCHEMBL477374

SCHEMBL477374

O=C(O)NCC1CCCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CPN1 P15169 2/20 0.49
CPB2 Q96IY4 2/20 0.49
PBK Q96KB5 5/20 0.46
SLC6A1 P30531 4/20 0.46
SLC6A11 P48066 3/20 0.46
SLC6A13 Q9NSD5 3/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 2/20 0.45
EPHX1 P07099 1/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A12 P48065 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRA4 P48169 1/20 0.44
CHEK1 O14757 2/20 0.44
CHRM2 P08172 1/20 0.42

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
SCHEMBL2768724 1.00 CYP2D6 (0.51) CYP2D6CPN1CPB2PBKSLC6A1
SCHEMBL5649078 1.00 CYP2D6 (0.51) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4014842 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4020092 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Hydrochloric Acid SCHEMBL4014839 0.98 CYP2D6 (0.50) CYP2D6CPN1CPB2PBKSLC6A1
Oxalic Acid SCHEMBL4020910 0.96 CYP2D6 (0.49) CYP2D6CPN1CPB2PBKSLC6A1
Oxalic Acid SCHEMBL4020925 0.96 CYP2D6 (0.49) CYP2D6CPN1CPB2PBKSLC6A1
SCHEMBL856745 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11
SCHEMBL2832801 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11
SCHEMBL2836599 0.89 SLC6A1 (0.57) CYP2D6CPN1CPB2SLC6A1SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2024-07-18 US disclosed
WO-2024151346-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-07-18 WO disclosed
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME GENENTECH, INC. (US) 2024-07-11 US disclosed
US-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2024-07-09 US disclosed
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors INCYTE CORPORATION 2024-07-04 US disclosed
WO-2024107434-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF Samsara Therapeutics Inc. (US) 2024-05-23 WO disclosed
WO-2024108100-A1 HETEROARYL FLUOROALKENES AS DGK INHIBITORS INCYTE CORPORATION (US) 2024-05-23 WO disclosed
EP-4351560-A1 ANTICANCER COMPOUNDS The Regents of the University of California (US) 2024-04-17 EP disclosed
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 US disclosed
EP-4326716-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-02-28 EP disclosed
CN-1425008-A 3-aminoquinazolin-2, 4-dione antibacterial agents WARNER LAMBERT CO (US) 2003-06-18 CN disclosed
EP-0559046-B1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors HOFFMANN LA ROCHE (CH) 2001-07-11 EP disclosed
US-5763604-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
US-5677448-A CHEMICAL INTERMEDIATES FOR MAKING ANTAGONIST OF THROMBIN, TREATING THROMBOSIS, STROKE, INFLAMMATION, ARTERIOSCLEROSIS, CARDIOVASCULAR DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-10-14 US disclosed
US-5578594-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1996-11-26 US disclosed
EP-0520882-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
US-5405854-A Anticoagulants HOFFMANN-LA ROCHE INC. (US) 1995-04-11 US disclosed
EP-0559046-A1 N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-09-08 EP disclosed
EP-0522914-A1 2-Piperidinylpyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1993-01-13 EP disclosed
EP-0520882-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1992-12-30 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 (5 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-12030885-B2 Substituted imidazo[2,1-f][1,2,4]triazines as PI3K-gamma inhibitors PIK3CG, PIK3CD, PIK3R5 CYP2D6 3452/4885CPN1 4336/4885CPB2 4747/4885
US-20240228463-A1 SODIUM CHANNEL INHIBITORS AND METHODS OF DESIGNING SAME CACNA1I, CACNA1B, CACNA1C CYP2D6 873/4885CPN1 4218/4885CPB2 3642/4885
US-20240239781-A1 1H-PYRAZOLE DERIVATIVES AS SIGMA LIGANDS SIGMAR1, TMEM97, OPRD1 CYP2D6 193/4885CPN1 3928/4885CPB2 4647/4885
US-20240217989-A1 Heteroaryl Fluoroalkenes As DGK Inhibitors DGKA, DGKG, DGKK CYP2D6 2446/4885CPN1 3984/4885CPB2 3113/4885
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains TTR, MAP1LC3B, SAAL1 CYP2D6 1832/4885CPN1 1431/4885CPB2 1918/4885

“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.