SCHEMBL14211883

SCHEMBL14211883

CN(CCC(C)(C)C)C(=O)c1cccc(CC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
PARP1 P09874 2/20 0.41
ACACB O00763 2/20 0.40
MLYCD O95822 2/20 0.40
ACHE P22303 1/20 0.39
SLC7A5 Q01650 1/20 0.39
GYS1 P13807 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
SCHEMBL18717239 0.87 L3MBTL1 (0.55) KMT2AMEN1CYP4F2CYP4A11NAMPT
SCHEMBL1690507 0.86 MLYCD (0.56) KMT2AMEN1L3MBTL1PARP1MLYCD
SCHEMBL1690607 0.85 KMT2A (0.53) KMT2AMEN1L3MBTL1HSD17B1HSD17B2
SCHEMBL14211896 0.85 KMT2A (0.53) KMT2AMEN1CYP4F2CYP4A11L3MBTL1
SCHEMBL14211901 0.84 KMT2A (0.46) KMT2AMEN1CYP4F2CYP4A11L3MBTL1
SCHEMBL1691822 0.83 KMT2A (0.49) KMT2AMEN1L3MBTL1HSD17B1HSD17B2
SCHEMBL1690506 0.83 KMT2A (0.75) KMT2AMEN1L3MBTL1HSD17B1HSD17B2
SCHEMBL15930096 0.82 HPGD (0.54) KMT2AMEN1NAMPTL3MBTL1HSD17B1
SCHEMBL19598858 0.82 ESRRG (0.50) NAMPTACACBMLYCD
SCHEMBL1690695 0.82 KMT2A (0.49) KMT2AMEN1NAMPTL3MBTL1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-9745313-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-29 US disclosed
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-12-15 US disclosed
US-9453029-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-09-24 US disclosed
US-9079918-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-14 US disclosed
US-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-20 US disclosed
US-8828983-B2 Macrocycles as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-09 US disclosed
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY 2012-12-06 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 (4 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-20140343276-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885CYP4F2 615/4885
US-20150266894-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885CYP4F2 615/4885
US-20160362414-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885CYP4F2 615/4885
US-20120309960-A1 MACROCYCLES AS FACTOR XIA INHIBITORS TFPI, TFPI2, F11 KMT2A 1111/4885MEN1 376/4885CYP4F2 615/4885

“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.