SCHEMBL4880196

SCHEMBL4880196

[C-]#[N+]CC(=O)N1CCCN(C)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 2/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM1 P11229 1/20 0.38
HTR1A P08908 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
SCHEMBL4216418 0.93 TDP1 (0.46) KMT2ATDP1HTTL3MBTL1POLB
SCHEMBL295163 0.82 ALDH1A1 (0.50) KMT2ATDP1HTTL3MBTL1
SCHEMBL2696686 0.81 ALDH1A1 (0.48) KMT2ATDP1HTTL3MBTL1CYP1A2
SCHEMBL3985824 0.79 KMT2A (0.51) KMT2ATDP1HTTLMNAL3MBTL1
SCHEMBL13302447 0.77 HTT (0.56) KMT2ATDP1HTTLMNAL3MBTL1
SCHEMBL24998780 0.76 KMT2A (0.51) KMT2ATDP1HTTLMNAL3MBTL1
SCHEMBL27270658 0.76 ALDH1A1 (0.52) KMT2ATDP1HTTLMNAL3MBTL1
SCHEMBL4212544 0.75 ALDH1A1 (0.37) KMT2ATDP1LMNA
SCHEMBL16938545 0.73 TDP1 (0.46) KMT2ATDP1HTTL3MBTL1POLB
SCHEMBL14123973 0.73 L3MBTL1 (0.54) KMT2ATDP1HTTLMNAL3MBTL1

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-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2008-02-28 US disclosed
EP-1773855-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-04-18 EP disclosed
WO-2006008141-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-26 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-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity SERPINC1, TFPI, F11 KMT2A 4548/4885TDP1 2550/4885HTT 2676/4885

“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.