SCHEMBL625869

SCHEMBL625869

NC(=O)[N+]1(c2ccc(Cl)cc2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
NPC1 O15118 2/20 0.35
HTR3A P46098 2/20 0.34
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LTA4H P09960 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CES2 O00748 1/20 0.32

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
SCHEMBL5585874 0.72 POLB (0.32) SIGMAR1MAPTCYP2C9CYP2C19OPRD1
SCHEMBL655078 0.68 HTR3A (0.39) DRD2HTR3AHTR3EHTR3BADRB1
SCHEMBL4954495 0.62
SCHEMBL651440 0.62 DRD2 (0.56) DRD2ALDH1A1OPRM1
Hydrochloric Acid SCHEMBL8353081 0.61 DRD2 (0.54) DRD2OPRM1
1,4-Dichlorobenzene SCHEMBL27598976 0.60 NPC1 (0.54) NPC1HTR3AHTR3EHTR3BHTR3D
Parachlorophenol SCHEMBL27784945 0.60 MAPK1 (0.50) DRD2NPC1HTR3AHTR3EHTR3B
SCHEMBL10362925 0.58 KDM4E (0.34) KDM4E
SCHEMBL27474795 0.58 KDM4E (0.30) KDM4E
Bicarbonate SCHEMBL11625611 0.57 ADRB1 (0.81) HTR3AHTR3EHTR3BADRB1HTR3D

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 DRD2 1433/4885NPC1 370/4885HTR3A 4632/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB DRD2 4394/4885NPC1 490/4885HTR3A 4249/4885

“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.