SCHEMBL626652

SCHEMBL626652

NC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.67
HTR2A P28223 1/20 0.67
HTR7 P34969 1/20 0.67
HTR6 P50406 1/20 0.67
MAPT P10636 10/20 0.66
SMN1; SMN2 Q16637 7/20 0.66
HTT P42858 4/20 0.62
MAPK1 P28482 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
GAA P10253 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
LMNA P02545 3/20 0.60
ALOX12 P18054 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
RAB9A P51151 1/20 0.59
USP2 O75604 1/20 0.58
ALOX15 P16050 1/20 0.58

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
SCHEMBL27918171 0.86 MAPT (0.69) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL631834 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL5543934 0.85 MAPT (0.68) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL18711281 0.83 MAPT (0.70) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL14452412 0.83 RAB9A (0.67) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL18375965 0.82 RAB9A (0.79) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL3174172 0.81 CHIA (0.69) HTR1AHTR2AHTR7HTR6MAPT
SCHEMBL268788 0.80 RAB9A (0.67) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL18701803 0.80 MAPT (0.65) MAPTSMN1; SMN2HTTMAPK1MEN1
SCHEMBL10144145 0.80 MAPT (1.00) MAPTSMN1; SMN2HTTMAPK1MEN1

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 HTR1A 4520/4885HTR2A 3288/4885HTR7 3738/4885
US-20110294723-A1 Compounds SLC11A2, SDHA, SDHB HTR1A 4581/4885HTR2A 4018/4885HTR7 3765/4885

“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.