SCHEMBL9947462

SCHEMBL9947462

O=C1CCCCCN1CCOCN1CCCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
HRH3 Q9Y5N1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
CHRM3 P20309 1/20 0.41
CYP2C19 P33261 1/20 0.41
PIK3CD O00329 1/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.40
ACHE P22303 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8559597 1.00 KMT2A (0.44) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947470 0.98 KMT2A (0.46) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947451 0.98 KMT2A (0.46) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947463 0.98 HRH3 (0.44) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947449 0.98 HRH3 (0.44) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947464 0.98 HRH3 (0.44) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947445 0.96 KMT2A (0.43) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947444 0.95 KMT2A (0.48) KMT2AMEN1POLBCYP1A2CHRM2
SCHEMBL8558755 0.91 KMT2A (0.48) KMT2AMEN1HRH3L3MBTL1POLB
SCHEMBL9947440 0.90 HRH3 (0.41) KMT2AMEN1HRH3L3MBTL1CYP1A2

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 KMT2A 3225/4885MEN1 2038/4885HRH3 4228/4885
US-20140045698-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885HRH3 4228/4885
US-20120148514-A1 N-ALKYL LACTAM ETHERS, AND COMPOSITIONS AND USES THEREOF USP8, MLST8, CYP2C8 KMT2A 3225/4885MEN1 2038/4885HRH3 4228/4885

“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.