SCHEMBL9947459

SCHEMBL9947459

O=C1CCCCN1COCN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.48
CHRM5 P08912 3/20 0.48
CHRM1 P11229 3/20 0.48
CHRM3 P20309 3/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
CHRM4 P08173 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PIK3CD O00329 1/20 0.48
TSHR P16473 2/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
APEX1 P27695 2/20 0.41
PMP22 Q01453 2/20 0.41
ALOX12 P18054 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL9947460 0.98 KMT2A (0.49) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947443 0.98 L3MBTL1 (0.47) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL8536422 0.96 L3MBTL1 (0.50) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947456 0.96 L3MBTL1 (0.50) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947452 0.96 PIK3CD (0.52) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947470 0.87 KMT2A (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947451 0.87 KMT2A (0.46) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL8559597 0.85 KMT2A (0.44) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947462 0.85 KMT2A (0.44) CHRM2CHRM5CHRM1CHRM3CYP2D6
SCHEMBL9947445 0.84 KMT2A (0.43) CHRM2CHRM5CHRM1CHRM3CYP2D6

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 10 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

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 CHRM2 2369/4885CHRM5 2653/4885CHRM1 1766/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 CHRM2 2369/4885CHRM5 2653/4885CHRM1 1766/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 CHRM2 2369/4885CHRM5 2653/4885CHRM1 1766/4885

“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.