SCHEMBL1136837

SCHEMBL1136837

NC1CCN(C(=O)NCCCCNC(=O)N2CCC(N)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.50
TPSD1 Q9BZJ3 5/20 0.50
TPSG1 Q9NRR2 5/20 0.50
HTT P42858 2/20 0.45
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NAMPT P43490 3/20 0.42
KMT2A Q03164 2/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 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
SCHEMBL12863355 0.93 TPSAB1 (0.59) TPSAB1TPSD1TPSG1HTTGNAI3
SCHEMBL1564353 0.85 KMT2A (0.55) TPSAB1TPSD1TPSG1HTTGNAI3
SCHEMBL17934120 0.81 EPHX2 (0.46) TPSAB1TPSD1TPSG1HTTGNAI3
SCHEMBL1563438 0.81 KMT2A (0.67) HTTGNAI3GNAO1GNAI1KMT2A
SCHEMBL15370089 0.79 GNAI3 (0.41) HTTGNAI3GNAO1GNAI1KMT2A
SCHEMBL13417255 0.79 KMT2A (0.39) TPSAB1TPSD1TPSG1HTTGNAI3
SCHEMBL224360 0.79 KMT2A (0.56) TPSAB1TPSD1TPSG1HTTTDP1
SCHEMBL771984 0.79 KMT2A (0.56) TPSAB1TPSD1TPSG1HTTTDP1
SCHEMBL11745723 0.77 KMT2A (0.58) TPSAB1TPSD1TPSG1HTTTDP1
SCHEMBL13972974 0.76 TPSAB1 (0.35) TPSAB1TPSD1TPSG1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
US-8318935-B2 Organic compounds 75074 NOVARTIS AG (CH) 2012-11-27 US disclosed
EP-2332933-A1 Epithelial sodium channel (ENaC) inhibitors Novartis AG (CH) 2011-06-15 EP disclosed
EP-2155721-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-02-23 EP disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
US-20100105660-A1 ORGANIC COMPOUNDS75074 NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2155721-A1 ORGANIC COMPOUNDS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008135557-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-11-13 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-20100105660-A1 ORGANIC COMPOUNDS75074 SCNN1A, TRPM4, TRPV4 TPSAB1 375/4885TPSD1 256/4885TPSG1 808/4885

“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.