SCHEMBL4014029

SCHEMBL4014029

O=C(NCCF)NC1CCc2c(O)cccc21.O=C(NCCF)NC1CCc2c(OC(=O)c3ccccc3)cccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.41
TAS1R3 Q7RTX0 2/20 0.40
TAS1R1 Q7RTX1 2/20 0.40
TAS1R2 Q8TE23 2/20 0.40
ACHE P22303 4/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MEN1 O00255 1/20 0.39
JAK2 O60674 1/20 0.39
USP2 O75604 1/20 0.39
ESR1 P03372 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTT P42858 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
SCHEMBL4014231 0.95 EPHX2 (0.44) EPHX2TAS1R3TAS1R1TAS1R2ACHE
SCHEMBL4018648 0.86 TAS1R3 (0.47) EPHX2TAS1R3TAS1R1TAS1R2ESR1
SCHEMBL4018120 0.80 TAS1R3 (0.52) EPHX2TAS1R3TAS1R1TAS1R2MAPT
SCHEMBL4016934 0.75 EPHX2 (0.46) EPHX2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL4019187 0.74 EPHX2 (0.46) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL4014098 0.74 EPHX2 (0.46) EPHX2HTTDHODH
SCHEMBL4015994 0.74 EPHX2 (0.46) EPHX2TAS1R3TAS1R1TAS1R2KMT2A
SCHEMBL4016100 0.74 TRPV1 (0.51) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL4017033 0.74 TAS1R3 (0.61) TAS1R3TAS1R1TAS1R2ACHEKMT2A
SCHEMBL4014373 0.73 HTT (0.49) EPHX2ACHEMAOAMAOBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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 (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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C EPHX2 370/4885TAS1R3 4338/4885TAS1R1 4376/4885

“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.