SCHEMBL8560901

SCHEMBL8560901

O=C1CCCCN1CCOCCN1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
CHRM3 P20309 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.46
PIK3CD O00329 1/20 0.46
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACHE P22303 1/20 0.40
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL20687601 0.98 KMT2A (0.48) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL8558755 0.98 KMT2A (0.48) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL8559626 0.98 KMT2A (0.46) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL20687600 0.96 KMT2A (0.47) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL20687603 0.96 KMT2A (0.45) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL8536781 0.96 L3MBTL1 (0.47) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL8558768 0.96 L3MBTL1 (0.47) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL7937319 0.96 KMT2A (0.51) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL20687602 0.94 L3MBTL1 (0.46) KMT2AMEN1CYP1A2CHRM2CHRM4
SCHEMBL19514128 0.94 KMT2A (0.50) KMT2AMEN1CYP1A2CHRM2CHRM4

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 2038/4885CYP1A2 436/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885CYP1A2 436/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885CYP1A2 436/4885
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 665/4885CYP1A2 682/4885
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 665/4885CYP1A2 682/4885

“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.