SCHEMBL19204364

SCHEMBL19204364

CC(C)C(=O)OCCCN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
HRH3 Q9Y5N1 3/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
SCN1A P35498 1/20 0.46
HTR2B P41595 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN2A Q99250 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
SCN3A Q9NY46 1/20 0.46

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
SCHEMBL12363731 0.90 ALDH1A1 (0.56) KDM4EGAAKMT2AALDH1A1LMNA
SCHEMBL13538389 0.89 KDM4E (0.49) KDM4EGAAPKMHRH3MEN1
SCHEMBL23870898 0.87 KDM4E (0.48) KDM4EGAAPKMHRH3MEN1
SCHEMBL5662786 0.87 KDM4E (0.48) KDM4EGAAPKMHRH3MEN1
SCHEMBL5662784 0.87 KDM4E (0.48) KDM4EGAAPKMHRH3MEN1
Hydrochloric Acid SCHEMBL23803348 0.86 KDM4E (0.47) KDM4EGAAPKMHRH3MEN1
Hydrochloric Acid SCHEMBL23803344 0.86 KDM4E (0.47) KDM4EGAAPKMHRH3MEN1
SCHEMBL19582185 0.84 KDM4E (0.46) KDM4EGAAPKMHRH3MEN1
SCHEMBL19582184 0.84 KDM4E (0.46) KDM4EGAAPKMHRH3MEN1
SCHEMBL16845057 0.83 TDP1 (0.51) KDM4EGAAPKMHRH3ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators ILDONG PHARMACEUTICAL CO., LTD. (KR) 2023-11-28 US disclosed
US-20210079017-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-18 US disclosed
US-10759813-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-09-01 US disclosed
US-20200031847-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-01-30 US disclosed
US-9873696-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-01-23 US disclosed
US-20170217959-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-08-03 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 (5 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-10759813-B2 Neprilysin inhibitors MME, REN, ACE KDM4E 2334/4885GAA 125/4885PKM 3693/4885
US-11827640-B2 Substituted pyrazolo[1,5-a]pyrimidines as CFTR modulators PDE4A, PDE4B, PDE5A KDM4E 2287/4885GAA 447/4885PKM 717/4885
US-20210079017-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2334/4885GAA 125/4885PKM 3693/4885
US-20200031847-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2334/4885GAA 125/4885PKM 3693/4885
US-20170217959-A1 NEPRILYSIN INHIBITORS MME, REN, ACE KDM4E 2334/4885GAA 125/4885PKM 3693/4885

“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.