SCHEMBL626776

SCHEMBL626776

NC(=O)N1CCN(CCNCc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.44
KMT2A Q03164 2/20 0.41
ENPP2 Q13822 2/20 0.41
HTR1A P08908 2/20 0.40
HTR2A P28223 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
DPP7 Q9UHL4 1/20 0.39
DRD2 P14416 2/20 0.39
DRD4 P21917 1/20 0.39
LTA4H P09960 1/20 0.38
CNR1 P21554 1/20 0.38
MARS1 P56192 3/20 0.38
CACNA1H O95180 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL626318 0.78 L3MBTL1 (0.53) KMT2AHTR1AHTR2AHTR7HTR6
SCHEMBL6875126 0.76 CYP2D6 (0.60) MAPTDPP7DRD2DRD4CYP2D6
SCHEMBL625705 0.70 CYP2C9 (0.47) CNR1MARS1
SCHEMBL8364960 0.70 THRB (0.59) KMT2AHTR2ADRD2DRD4LTA4H
SCHEMBL12332378 0.70 DPP7 (0.59) KMT2ADPP7DRD2DRD4CNR1
SCHEMBL626782 0.68 MARS1 (0.58) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL11501237 0.68 CARM1 (0.52) KMT2ALTA4H
SCHEMBL2784148 0.67 AKR1C3 (0.63) KMT2ADRD4
SCHEMBL625750 0.67 MARS1 (0.53) HTR1AHTR2AHTR7HTR6DRD2
SCHEMBL625553 0.67 MARS1 (0.53) HTR1AHTR2AHTR7HTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP claimed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 WO claimed
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-8729031-B2 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2014-05-20 US disclosed
EP-2603204-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS Novacta Biosystems Limited (GB) 2013-06-19 EP disclosed
US-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2013-05-30 US disclosed
WO-2012020219-A2 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS NOVACTA BIOSYSTEMS LIMITED (GB) 2012-02-16 WO disclosed
EP-2393829-A1 ACTAGARDINE DERIVATIVES Novacta Biosystems Limited (GB) 2011-12-14 EP disclosed
US-20110294723-A1 Compounds NOVACTA BIOSYSTEMS LIMITED (GB) 2011-12-01 US disclosed
WO-2010089544-A1 ACTAGARDINE DERIVATIVES NOVACTA BIOSYSTEMS LIMITED (GB) 2010-08-12 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 (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-20130137630-A1 FORMULATIONS FOR INFUSION OF TYPE B LANTIBIOTICS SLC5A2, SLC5A11, SPTSSB MAPT 853/4885KMT2A 3031/4885ENPP2 2463/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB MAPT 3455/4885KMT2A 4096/4885ENPP2 1104/4885

“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.