SCHEMBL334337

SCHEMBL334337

CCOc1ccc(C(C)C)cc1N1CCNCC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A2 P23975 6/20 0.38
SLC6A4 P31645 6/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.38
CYP3A4 P08684 3/20 0.35
CYP2D6 P10635 3/20 0.35
CACNA1F O60840 2/20 0.35
CACNA1D Q01668 2/20 0.35
KCNH2 Q12809 2/20 0.35
CACNA1S Q13698 2/20 0.35
CACNA1C Q13936 2/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL334588 0.80 ALDH1A1 (0.47) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL22860622 0.76 SOS1 (0.38) ALDH1A1SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL24648921 0.72 SLC6A2 (0.49) SLC6A2SLC6A4KMT2AMEN1SLC6A3
SCHEMBL3659273 0.70 ALOX15 (0.47) ALDH1A1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL3656587 0.69 HTR6 (0.46) ALDH1A1KMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL7532089 0.68 CYP1A2 (0.42) SMN1; SMN2SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL3657552 0.67 P2RX7 (0.50) SLC6A2SLC6A4KCNH2
SCHEMBL11449830 0.67 KMT2A (0.48) ALDH1A1SMN1; SMN2KMT2AMEN1TSHR
SCHEMBL683930 0.66 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2ATSHRL3MBTL1
SCHEMBL20203601 0.66 SOS1 (0.39) SLC6A2SLC6A4SLC6A3

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 15 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
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

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 4362/4885SMN1; SMN2 4617/4885SLC6A2 4877/4885
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 3543/4885SMN1; SMN2 4418/4885SLC6A2 4092/4885
US-20090118198-A1 NOVEL PEPTIDE DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS FOR TREATING WOUNDS VIP, NGLY1, ARG1 ALDH1A1 4435/4885SMN1; SMN2 2799/4885SLC6A2 4847/4885
US-20100247648-A1 ANTIMICROBIAL COMPOUNDS ARG1, C1R, ARG2 ALDH1A1 4240/4885SMN1; SMN2 4363/4885SLC6A2 4847/4885

“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.