SCHEMBL9947452

SCHEMBL9947452

O=C1CCCN1COCN1CCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.52
TSHR P16473 2/20 0.50
CHRM2 P08172 3/20 0.47
CHRM5 P08912 3/20 0.47
CHRM1 P11229 3/20 0.47
CHRM3 P20309 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM4 P08173 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
APEX1 P27695 2/20 0.43
PMP22 Q01453 2/20 0.43
ALOX12 P18054 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL9947459 0.96 CHRM2 (0.48) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947460 0.94 KMT2A (0.49) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947443 0.93 L3MBTL1 (0.47) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947456 0.91 L3MBTL1 (0.50) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL8536422 0.91 L3MBTL1 (0.50) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947444 0.86 KMT2A (0.48) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9336877 0.84 TSHR (0.46) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947451 0.82 KMT2A (0.46) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947470 0.82 KMT2A (0.46) PIK3CDTSHRCHRM2CHRM5CHRM1
SCHEMBL9947453 0.82 KMT2A (0.42) PIK3CDTSHRKMT2AMEN1PKM

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 16 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-9885002-B2 Carbon dioxide co-fluid EMERSON CLIMATE TECHNOLOGIES, INC. (US) 2018-02-06 US disclosed
WO-2017189897-A1 CARBON DIOXIDE CO-FLUID EMERSON CLIMATE TECHNOLOGIES, INC. (US) 2017-11-02 WO disclosed
US-20170313954-A1 CARBON DIOXIDE CO-FLUID EMERSON CLIMATE TECHNOLOGIES, INC. (US) 2017-11-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20170313954-A1 CARBON DIOXIDE CO-FLUID CA9, TDO2, CPS1 PIK3CD 1778/4885TSHR 3135/4885CHRM2 2338/4885
US-20160271254-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 PIK3CD 357/4885TSHR 1738/4885CHRM2 2369/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 PIK3CD 357/4885TSHR 1738/4885CHRM2 2369/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 PIK3CD 357/4885TSHR 1738/4885CHRM2 2369/4885
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 PIK3CD 967/4885TSHR 345/4885CHRM2 4442/4885
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 PIK3CD 967/4885TSHR 345/4885CHRM2 4442/4885

“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.