SCHEMBL17740201

SCHEMBL17740201

CC(C)CCNC(=O)CCCCCON

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
CNR1 P21554 4/20 0.49
CNR2 P34972 3/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.49
NMT2 O60551 1/20 0.46
NMT1 P30419 1/20 0.46
NAMPT P43490 1/20 0.46
TSHR P16473 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ANPEP P15144 3/20 0.41
DNPEP Q9ULA0 2/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 3/20 0.40
MAPT P10636 1/20 0.38
RNPEP Q9H4A4 2/20 0.38
DNM1 Q05193 1/20 0.38

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
SCHEMBL17739815 0.81 FAAH (0.51) CNR1CNR2TSHRFAAHDNM1
SCHEMBL19935561 0.81 LMNA (0.55) HPGDCNR1CNR2LMNAPKM
SCHEMBL28340107 0.81 LMNA (0.58) HPGDCNR1CNR2LMNAPKM
SCHEMBL17740089 0.80 FAAH (0.57) TSHRFAAHDNM1
SCHEMBL20034695 0.80 TSHR (0.40) HPGDCNR1CNR2NAMPTTSHR
SCHEMBL1456865 0.80 CNR1 (0.68) CNR1LMNAPKMFAAHDNM1
SCHEMBL1695972 0.80 CNR1 (0.68) CNR1LMNAPKMFAAHDNM1
SCHEMBL1456478 0.80 CNR1 (0.68) CNR1LMNAPKMFAAHDNM1
SCHEMBL5866922 0.80 CNR1 (0.68) CNR1LMNAPKMFAAHDNM1
SCHEMBL17739811 0.80 FAAH (0.49) CNR1CNR2TSHRFAAHDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938323-B2 Amatoxin derivatives and conjugates thereof as inhibitors of RNA polymerase NOVARTIS AG (CH) 2018-04-10 US disclosed
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 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 (1 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT HPGD 3861/4885CNR1 4623/4885CNR2 4749/4885

“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.