SCHEMBL8560891

SCHEMBL8560891

O=C1CCCCN1CCCOCCN1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ADRA1B P35368 5/20 0.42
ADRA1A P35348 2/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CD O00329 1/20 0.41
PKM P14618 1/20 0.41
PDK2 Q15119 1/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL8559600 1.00 KMT2A (0.44) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8589316 0.98 KMT2A (0.43) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8561128 0.98 KMT2A (0.43) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8560898 0.98 MEN1 (0.42) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8536784 0.97 L3MBTL1 (0.42) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8561001 0.97 L3MBTL1 (0.42) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8536520 0.97 L3MBTL1 (0.42) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8561376 0.96 KMT2A (0.47) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8561132 0.96 KMT2A (0.43) KMT2AMEN1ADRA1BADRA1APOLB
SCHEMBL8558753 0.95 ADRA1B (0.44) KMT2AMEN1ADRA1BADRA1APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319301-B2 Halogen complexes of compounds comprising at least one ether, thioether, and/or imine moiety and at least two lactam moieties ISP INVESTMENTS LLC (US) 2022-05-03 US disclosed
US-20200231574-A1 HALOGEN COMPLEXES OF COMPOUNDS COMPRISING AT LEAST ONE ETHER, THIOETHER, AND/OR IMINE MOIETY AND AT LEAST TWO LACTAM MOIETIES ISP INVESTMENTS LLC (US) 2020-07-23 US disclosed
WO-2019023453-A1 HALOGEN COMPLEXES OF COMPOUNDS COMPRISING AT LEAST ONE ETHER, THIOETHER, AND/OR IMINE MOIETY AND AT LEAST TWO LACTAM MOIETIES ISP INVESTMENTS LLC (US) 2019-01-31 WO disclosed
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 (5 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 KMT2A 3225/4885MEN1 2038/4885ADRA1B 4020/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885ADRA1B 4020/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885ADRA1B 4020/4885
US-11319301-B2 Halogen complexes of compounds comprising at least one ether, thioether, and/or imine moiety and at least two lactam moieties BTK, TBCD, INTS9 KMT2A 1261/4885MEN1 665/4885ADRA1B 4834/4885
US-20200231574-A1 HALOGEN COMPLEXES OF COMPOUNDS COMPRISING AT LEAST ONE ETHER, THIOETHER, AND/OR IMINE MOIETY AND AT LEAST TWO LACTAM MOIETIES BTK, TBCD, INTS9 KMT2A 1261/4885MEN1 665/4885ADRA1B 4834/4885

“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.