SCHEMBL4018648

SCHEMBL4018648

O=C(NCCF)NC1CCc2c(O)cccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.47
TAS1R1 Q7RTX1 3/20 0.47
TAS1R2 Q8TE23 3/20 0.47
EPHX2 P34913 4/20 0.46
HTT P42858 1/20 0.45
HSD17B2 P37059 1/20 0.42
DRD2 P14416 1/20 0.41
SLC6A5 Q9Y345 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
CCR2 P41597 1/20 0.39
TRPV1 Q8NER1 2/20 0.39

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
SCHEMBL4016934 0.87 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4015994 0.86 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4016100 0.86 TRPV1 (0.51) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4014098 0.86 EPHX2 (0.46) EPHX2HTTHSD17B2CCR2TRPV1
SCHEMBL4019187 0.86 EPHX2 (0.46) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4014029 0.86 EPHX2 (0.41) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4014373 0.85 HTT (0.49) EPHX2HTTTRPV1
SCHEMBL4018120 0.83 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4023045 0.80 EPHX2 (0.69) TAS1R3TAS1R1TAS1R2EPHX2HTT
SCHEMBL4014522 0.80 EPHX2 (0.69) TAS1R3TAS1R1TAS1R2EPHX2HTT

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 TAS1R3 4338/4885TAS1R1 4376/4885TAS1R2 3951/4885

“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.