Sugi Predict

Sugi Predict / Compounds / SCHEMBL404338

SCHEMBL404338

SCHEMBL404338

CCCc1ccccc1N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.58
▸ HTR2A P28223 3/20 0.58
▸ DRD2 P14416 2/20 0.58
▸ DRD3 P35462 2/20 0.58
▸ DRD4 P21917 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ SLC6A2 P23975 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ ADRB1 P08588 4/20 0.56
▸ HTR3A P46098 3/20 0.51
▸ HTR6 P50406 3/20 0.51
▸ HTR3E A5X5Y0 2/20 0.51
▸ HTR3B O95264 2/20 0.51
▸ HTR3D Q70Z44 2/20 0.51
▸ HTR3C Q8WXA8 2/20 0.51
▸ SIGMAR1 Q99720 2/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ HTR7 P34969 3/20 0.50
▸ LMNA P02545 1/20 0.50

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
SCHEMBL29432674 1.00 HTR1A (0.58) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL7800659 0.90 HTR1A (0.55) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL6220020 0.89 HTR1A (0.54) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL31561598 0.87 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL335802 0.87 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL28078181 0.87 HTR1A (0.73) HTR1AHTR2ADRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7927336 0.86 HTR1A (0.71) HTR1AHTR2ADRD2DRD3DRD4
Hydrochloric Acid SCHEMBL7982587 0.86 HTR1A (0.71) HTR1AHTR2ADRD2DRD3DRD4
Piperazine SCHEMBL28217787 0.86 HTR1A (0.71) HTR1AHTR2ADRD2DRD3DRD4
SCHEMBL21593838 0.84 NCF1 (0.50) HTR1AHTR2ADRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773779-B1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV LAVAL (CA) 2013-12-04 — — EP disclosed
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 — — US disclosed
US-8551983-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-08 — — US disclosed
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2012-01-26 — — US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 — — US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 — — US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 — — US disclosed
US-7235538-B2 Heterocyclic compounds, which are inhibitors of the enzyme DPP-IV NOVO NORDISK A/S (DK) 2007-06-26 — — US disclosed
EP-1773779-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2007-04-18 — — EP disclosed
WO-2006005195-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITé LAVAL (CA) 2006-01-19 — — WO disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 — — EP disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 — — CN disclosed
US-5569659-A ANTIPSYCHOTIC AGENT MCNEILAB, INC. (US) 1996-10-29 — — US disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 — — EP disclosed
EP-0563345-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-10-06 — — EP disclosed
EP-0562049-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-09-29 — — EP disclosed
WO-1993004682-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-03-18 — — WO disclosed
WO-1993004684-A1 NOVEL 4-ARYLPIPERAZINES AND 4-ARYLPIPERIDINES MCNEILAB, INC. (US) 1993-03-18 — — WO disclosed
US-4992441-A 1-[[5-[[4-substituted-1-piperazinyl]methyl]-pyrrol-2-yl or furan-2-yl]methyl-2-piperidinones useful in treating schizophrenia MCNEILAB, INC. (US) 1991-02-12 — — US disclosed
EP-0312345-A2 1-(5-(4-substituted-1-piperazinyl)methyl)-pyrrol-2-yl or furan-2-yl)methyl-2-piperidinones useful in treating schizophrenia MCNEILAB, INC. (US) 1989-04-19 — — 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-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases CHRNA1, CHRNG, CHRM1 HTR1A 151/4885HTR2A 286/4885DRD2 1400/4885
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES CHRNA1, CHRNG, CHRM1 HTR1A 151/4885HTR2A 286/4885DRD2 1400/4885

“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.