SCHEMBL22616347

SCHEMBL22616347

[CH2]CCCC(=O)NC(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.61
MEN1 O00255 1/20 0.61
MAPK1 P28482 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.43
HPGD P15428 3/20 0.41
NLRP1 Q9C000 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
EPHX2 P34913 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 1/20 0.39
DNM1 Q05193 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36
THRB P10828 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL7553435 0.91 FAAH (0.68) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL7343969 0.86
SCHEMBL12934925 0.85 FAAH (0.78) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5909190 0.85 FAAH (0.71) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12934928 0.83 FAAH (0.83) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12934930 0.83 FAAH (0.83) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL12934924 0.83 FAAH (0.83) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL5909062 0.80 MEN1 (0.62) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL96977 0.79 MEN1 (0.63) FAAHMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL96976 0.79 FAAH (0.63) FAAHMEN1MAPK1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2022-06-30 US disclosed
EP-3962900-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ISAGRO S.p.A. (IT) 2022-03-09 EP disclosed
CN-113784952-A Esters of non-aromatic heterocyclic compounds with nematicidal activity, their agronomic compositions and uses thereof 伊萨格罗股份公司 2021-12-10 CN disclosed
WO-2020222118-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF. ISAGRO S.P.A. (IT) 2020-11-05 WO 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 (1 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-20220204540-A1 ESTERS OF NON- AROMATIC HETEROCYCLIC COMPOUNDS HAVING A NEMATOCIDAL ACTIVITY, THEIR AGRONOMIC COMPOSITIONS AND USE THEREOF ACHE, CYP51A1, DNPH1 FAAH 21/4885MEN1 3832/4885MAPK1 4251/4885

“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.