SCHEMBL334588

SCHEMBL334588

CCOc1ccccc1N1CCNCC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HIF1A Q16665 2/20 0.47
PKM P14618 1/20 0.43
GAA P10253 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
ATM Q13315 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 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
Hydrochloric Acid SCHEMBL7532089 0.87 CYP1A2 (0.42) DRD2DRD3ATMSLC6A2SLC6A4
SCHEMBL8276483 0.84 DRD2 (0.58) ALDH1A1GAADRD2DRD3ATM
Hydrochloric Acid SCHEMBL10705356 0.83 ATM (0.59) ALDH1A1DRD2DRD3ATMHTR2A
SCHEMBL334337 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10GAASLC6A2SLC6A4
SCHEMBL13920515 0.78 SLC6A2 (0.43) ALDH1A1DRD2DRD3ATMSLC6A2
Hydrochloric Acid SCHEMBL8156228 0.77 P2RX7 (0.44) DRD2DRD3ATMSLC6A2SLC6A4
SCHEMBL5805251 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10DRD2DRD4DRD3
SCHEMBL31176347 0.76 ADRB1 (0.54) HTR2AHTR2CHTR2BHTR1A
SCHEMBL3653056 0.76 ADRB1 (0.54) HTR2AHTR2CHTR2BHTR1A
SCHEMBL255189 0.76 HTR1A (0.68) ALDH1A1HSD17B10DRD2DRD4DRD3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US claimed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP claimed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US claimed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 WO claimed
EP-1824873-A1 USE OF DERIVATIVES OF DIPEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MICROBIAL INFECTIONS Neobiotics AB (SE) 2007-08-29 EP claimed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 US claimed
WO-2006052201-A1 USE OF DERIVATIVES OF DIPEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MICROBIAL INFECTIONS NEOBIOTICS AB (SE) 2006-05-18 WO claimed
US-8097582-B2 Peptide derivatives useful as antimicrobial agents and for treating wounds NEOBIOTICS AB (SE) 2012-01-17 US disclosed
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS NEOBIOTICS AB (SE) 2010-09-30 US disclosed
US-7691805-B2 Antimicrobial compounds NEOBIOTICS AB (SE) 2010-04-06 US disclosed
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS ZULA DIAGNOSTICS AB (SE) 2009-05-07 US disclosed
EP-2019819-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS Neobiotics AB (SE) 2009-02-04 EP disclosed
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 US disclosed
WO-2007129952-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS NEOBIOTICS AB (SE) 2007-11-15 WO disclosed
EP-1824873-A1 USE OF DERIVATIVES OF DIPEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MICROBIAL INFECTIONS Neobiotics AB (SE) 2007-08-29 EP disclosed
US-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance NEOBIOTICS AB (SE) 2006-06-01 US disclosed
WO-2006052201-A1 USE OF DERIVATIVES OF DIPEPTIDES FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF MICROBIAL INFECTIONS NEOBIOTICS AB (SE) 2006-05-18 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 (4 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-20060116327-A1 Dipeptide derivatives with active agents to formulate one composition to reduce, eliminate more than one microorganism; effect against a broad spectrum of microorganisms; mechanism of action on pathogen may be on a basic level; low probability for developing resistance ARG1, ARGLU1, VIP ALDH1A1 4362/4885HSD17B10 3974/4885HIF1A 1109/4885
US-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD ALDH1A1 3543/4885HSD17B10 4445/4885HIF1A 610/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 ALDH1A1 4435/4885HSD17B10 4356/4885HIF1A 433/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 ALDH1A1 4240/4885HSD17B10 3310/4885HIF1A 1075/4885

“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.