SCHEMBL625986

SCHEMBL625986

NCCCCCCCCNCc1cc(Cl)cc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.56
MC4R P32245 1/20 0.44
MC5R P33032 1/20 0.44
MC3R P41968 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MARS1 P56192 5/20 0.43
MAOA P21397 1/20 0.42
CA12 O43570 1/20 0.41
F13A1 P00488 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CYP1A2 P05177 1/20 0.41
CA3 P07451 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41

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
SCHEMBL6875413 1.00 CHRM2 (0.56) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL626377 1.00 CHRM2 (0.56) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL626270 1.00 CHRM2 (0.56) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL626355 0.92 CHRM2 (0.50) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL625484 0.89 CHRM2 (0.51) CHRM2MC4RMC5RMC3RMARS1
SCHEMBL625735 0.88 CHRM2 (0.48) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL16152227 0.86 CA12 (0.50) CHRM2MC4RMC5RMC3RSMN1; SMN2
Hydrochloric Acid SCHEMBL29778350 0.84 LMNA (0.52) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL2761649 0.82 CA12 (0.56) CHRM2MC4RMC5RMC3RSMN1; SMN2
SCHEMBL28170013 0.79 CHRM2 (0.75) CHRM2MC4RMC5RMC3RSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9192569-B2 Formulations for infusion of type B lantibiotics NOVACTA BIOSYSTEMS LIMITED (GB) 2015-11-24 US disclosed
US-9006392-B2 Actagardine derivatives, and pharmaceutical use thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2015-04-14 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
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof NOVACTA BIOSYSTEMS LIMITED (GB) 2012-11-29 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-2011095769-A1 ACTAGARDINE DERIVATIVES, AND PHARMACEUTICAL USE THEREOF NOVACTA BIOSYSTEMS LIMITED (GB) 2011-08-11 WO 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 (3 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 CHRM2 4065/4885MC4R 1975/4885MC5R 3239/4885
US-20120302728-A1 Actagardine Derivatives, and Pharmaceutical Use Thereof GALR2, GALR1, GALR3 CHRM2 463/4885MC4R 635/4885MC5R 405/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB CHRM2 4696/4885MC4R 2593/4885MC5R 735/4885

“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.