SCHEMBL4016730

SCHEMBL4016730

O=C(NCCF)NC1CCc2ccc(F)c(F)c21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
HTT P42858 1/20 0.40
TRPV1 Q8NER1 5/20 0.38
IDO1 P14902 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
DHODH Q02127 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR2C P28335 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32

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
SCHEMBL4013467 0.85 EPHX2 (0.46) EPHX2HTTTRPV1NPSR1TAS1R3
SCHEMBL4017160 0.81 EPHX2 (0.40) EPHX2HTTTRPV1HTR2CMTNR1A
SCHEMBL4015827 0.81 EPHX2 (0.40) EPHX2HTTTRPV1TAS1R3TAS1R1
SCHEMBL4017499 0.80 EPHX2 (0.49) EPHX2HTTTRPV1DHODH
SCHEMBL4015601 0.79 EPHX2 (0.39) EPHX2HTTTRPV1TAS1R3TAS1R1
SCHEMBL4014607 0.79 EPHX2 (0.39) EPHX2HTTTRPV1HTR2CMTNR1A
SCHEMBL12860212 0.79 IDO1 (0.31) IDO1
SCHEMBL1150841 0.79 IDO1 (0.31) IDO1
SCHEMBL4015267 0.79 P2RX7 (0.46) EPHX2HTTTRPV1TAS1R3TAS1R1
SCHEMBL4017010 0.79 TRPV1 (0.48) EPHX2HTTTRPV1DHODHEPHX1

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 370/4885HTT 3760/4885TRPV1 3053/4885

“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.