SCHEMBL9947440

SCHEMBL9947440

O=C1CCCCCN1CCCOCN1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
PDK2 Q15119 2/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
PIK3CD O00329 1/20 0.39
RAB9A P51151 2/20 0.38
ACHE P22303 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8590256 1.00 HRH3 (0.41) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947447 0.98 KMT2A (0.40) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947465 0.98 HRH3 (0.42) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947448 0.98 HRH3 (0.42) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL8590432 0.98 KMT2A (0.40) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947461 0.98 HRH3 (0.42) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947454 0.97 PDK2 (0.40) HRH3KMT2AL3MBTL1MEN1PDK2
SCHEMBL9947442 0.95 HRH3 (0.40) HRH3KMT2AL3MBTL1MEN1CYP1A2
SCHEMBL9947441 0.95 HRH3 (0.40) HRH3KMT2AL3MBTL1MEN1CYP1A2
SCHEMBL9947453 0.95 KMT2A (0.42) KMT2AL3MBTL1MEN1PDK2PKM

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 HRH3 4228/4885KMT2A 3225/4885L3MBTL1 4202/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 HRH3 4228/4885KMT2A 3225/4885L3MBTL1 4202/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 HRH3 4228/4885KMT2A 3225/4885L3MBTL1 4202/4885

“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.