SCHEMBL8537701

SCHEMBL8537701

O=C1CCCCCN1CCCOCCCN1CCCCC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
PDK2 Q15119 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
ACHE P22303 1/20 0.41
CHRM2 P08172 2/20 0.40
SLC6A2 P23975 2/20 0.40
HRH1 P35367 2/20 0.40
CHRM4 P08173 2/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM5 P08912 1/20 0.40
CYP2D6 P10635 1/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL8541756 1.00 L3MBTL1 (0.45) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8589318 0.98 KMT2A (0.44) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8541603 0.98 PDK2 (0.43) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8560896 0.96 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8524675 0.96 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8536784 0.96 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8536520 0.96 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8561001 0.96 L3MBTL1 (0.42) L3MBTL1KMT2AMEN1PDK2HRH3
SCHEMBL8561132 0.96 KMT2A (0.43) L3MBTL1KMT2AMEN1PDK2ACHE
SCHEMBL8589316 0.95 KMT2A (0.43) L3MBTL1KMT2AMEN1PDK2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993559-B2 N-alkyl lactam ethers, and compositions and uses thereof ISP INVESTMENTS LLC (US) 2018-06-12 US disclosed
US-9993559-B2 N-alkyl lactam ethers, and compositions and uses thereof ISP INVESTMENTS LLC (US) 2018-06-12 US disclosed
US-20160271254-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2016-09-22 US disclosed
US-20160271254-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2016-09-22 US disclosed
US-9351484-B2 N-alkyl lactam ethers, and compositions and uses thereof ISP INVESTMENTS INC. (US) 2016-05-31 US disclosed
US-9351484-B2 N-alkyl lactam ethers, and compositions and uses thereof ISP INVESTMENTS INC. (US) 2016-05-31 US disclosed
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2014-02-13 US disclosed
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2014-02-13 US disclosed
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2012-06-14 US disclosed
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2012-06-14 US disclosed
WO-2012068001-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF ISP INVESTMENTS INC. (US) 2012-05-24 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 (3 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-20160271254-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 L3MBTL1 4202/4885KMT2A 3225/4885MEN1 2038/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 L3MBTL1 4202/4885KMT2A 3225/4885MEN1 2038/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 L3MBTL1 4202/4885KMT2A 3225/4885MEN1 2038/4885

“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.