SCHEMBL8538166

SCHEMBL8538166

O=C1CCCCCN1CCCCOCCN1CCCCC1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
ADRA1B P35368 6/20 0.41
ADRA1A P35348 2/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ACHE P22303 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PDK2 Q15119 1/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HRH1 P35367 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL8536789 1.00 L3MBTL1 (0.41) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8559686 1.00 L3MBTL1 (0.41) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8561130 0.98 ADRA1B (0.43) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8560998 0.98 ADRA1B (0.42) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8536753 0.97 ADRA1B (0.44) ADRA1BADRA1APOLBKMT2AMEN1
SCHEMBL8558753 0.97 ADRA1B (0.44) ADRA1BADRA1APOLBKMT2AMEN1
SCHEMBL8559512 0.97 L3MBTL1 (0.44) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8524677 0.97 L3MBTL1 (0.44) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8524675 0.95 L3MBTL1 (0.42) L3MBTL1ADRA1BADRA1APOLBKMT2A
SCHEMBL8537621 0.95 KMT2A (0.42) L3MBTL1ADRA1BADRA1APOLBKMT2A

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 4202/4885ADRA1B 4020/4885ADRA1A 3119/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 L3MBTL1 4202/4885ADRA1B 4020/4885ADRA1A 3119/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 L3MBTL1 4202/4885ADRA1B 4020/4885ADRA1A 3119/4885

“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.