SCHEMBL4014231

SCHEMBL4014231

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
ACHE P22303 6/20 0.42
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.40
CD274 Q9NZQ7 1/20 0.39
DHODH Q02127 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 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
SCHEMBL4014029 0.95 EPHX2 (0.41) EPHX2ACHEMAOAMAOBHTT
SCHEMBL4018120 0.84 TAS1R3 (0.52) EPHX2HTTTAS1R3TAS1R1TAS1R2
SCHEMBL4018648 0.79 TAS1R3 (0.47) EPHX2HTTTAS1R3TAS1R1TAS1R2
SCHEMBL4016934 0.79 EPHX2 (0.46) EPHX2HTTDHODHTAS1R3TAS1R1
SCHEMBL4019187 0.78 EPHX2 (0.46) EPHX2HTTTAS1R3TAS1R1TAS1R2
SCHEMBL4014098 0.78 EPHX2 (0.46) EPHX2HTTDHODH
SCHEMBL4015994 0.78 EPHX2 (0.46) EPHX2HTTDHODHL3MBTL1TAS1R3
SCHEMBL4016100 0.78 TRPV1 (0.51) EPHX2HTTDHODHTAS1R3TAS1R1
SCHEMBL4017033 0.78 TAS1R3 (0.61) ACHEHTTTAS1R3TAS1R1TAS1R2
SCHEMBL4014373 0.77 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 8 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 claimed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US claimed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
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
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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 370/4885ACHE 108/4885MAOA 251/4885

“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.