SCHEMBL16664155

SCHEMBL16664155

CCCCCCC(C)C(=O)N1CCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
ACE2 Q9BYF1 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
FDPS P14324 3/20 0.41
GPR84 Q9NQS5 2/20 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
SCHEMBL12351438 0.98 CA1 (0.52) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL20445091 0.95 L3MBTL1 (0.53) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL27650965 0.95 L3MBTL1 (0.53) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL12352198 0.94 L3MBTL1 (0.53) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL19778874 0.92 L3MBTL1 (0.46) CA1L3MBTL1MEN1KMT2ATDP1
SCHEMBL26753717 0.89 L3MBTL1 (0.50) CA1L3MBTL1MEN1KMT2ATDP1
SCHEMBL16417923 0.88 HSD17B10 (0.48) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL19364611 0.88 HSD17B10 (0.48) CA1L3MBTL1ACE2MEN1KMT2A
SCHEMBL16417928 0.86 CYP3A4 (0.54) CA1ACE2MEN1KMT2A
SCHEMBL21730562 0.86 CA1 (0.44) CA1L3MBTL1ACE2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-04-23 US 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-20150112058-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 CA1 1574/4885L3MBTL1 4750/4885ACE2 176/4885

“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.