SCHEMBL9947469

SCHEMBL9947469

CC(OCN1CCCC1=O)N1CCCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
CHRM2 P08172 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
CHRM3 P20309 3/20 0.41
CHRM4 P08173 2/20 0.41
LMNA P02545 3/20 0.39
KMT2A Q03164 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL8567047 1.00 PIK3CD (0.47) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL9947450 0.98 PIK3CD (0.45) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL9947438 0.98 PIK3CD (0.49) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL15472252 0.98 PIK3CD (0.49) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL8544853 0.98 PIK3CD (0.45) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL9947458 0.98 PIK3CD (0.45) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL9947457 0.97 PIK3CD (0.46) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL9947467 0.95 PIK3CD (0.51) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL8524177 0.85 PIK3CD (0.45) PIK3CDCHRM2CHRM5CHRM1CHRM3
SCHEMBL8544980 0.80 PIK3CD (0.49) PIK3CDCHRM2CHRM5CHRM1CHRM3

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 5 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-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-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

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 PIK3CD 357/4885CHRM2 2369/4885CHRM5 2653/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 PIK3CD 357/4885CHRM2 2369/4885CHRM5 2653/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 PIK3CD 357/4885CHRM2 2369/4885CHRM5 2653/4885

“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.