SCHEMBL4015267

SCHEMBL4015267

O=C(NCCF)NC1CCc2cccc(Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.46
EPHX2 P34913 4/20 0.46
TAS1R3 Q7RTX0 6/20 0.44
TAS1R1 Q7RTX1 6/20 0.44
TAS1R2 Q8TE23 5/20 0.44
HTT P42858 1/20 0.42
TRPV1 Q8NER1 3/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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 0.86 EPHX2 (0.46) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL4015877 0.85 TRPV1 (0.51) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL4015827 0.85 EPHX2 (0.40) P2RX7EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL4014517 0.85 P2RX7 (0.46) P2RX7EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL4015601 0.83 EPHX2 (0.39) P2RX7EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL4014628 0.82 MTNR1A (0.46) EPHX2POLBMTNR1AMTNR1B
SCHEMBL4015713 0.80 TRPV1 (0.58) P2RX7EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL4019187 0.80 EPHX2 (0.46) EPHX2TAS1R3TAS1R1TAS1R2HTT
SCHEMBL12860210 0.79 P2RX7 (0.38) P2RX7TAS1R3TAS1R1TAS1R2MTNR1A
SCHEMBL1150818 0.79 P2RX7 (0.38) P2RX7TAS1R3TAS1R1TAS1R2MTNR1A

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 P2RX7 488/4885EPHX2 370/4885TAS1R3 4338/4885

“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.