SCHEMBL4015994

SCHEMBL4015994

O=C(NCCF)NC1CCc2c(Br)cccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
HTT P42858 1/20 0.44
TRPV1 Q8NER1 5/20 0.38
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.34
EPHX1 P07099 1/20 0.34
DHODH Q02127 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4015218 0.93 HTT (0.51) EPHX2HTTALDH1A1EPHX1DHODH
SCHEMBL4016934 0.86 EPHX2 (0.46) EPHX2HTTTRPV1DHODHTAS1R3
SCHEMBL4018648 0.86 TAS1R3 (0.47) EPHX2HTTTRPV1TAS1R3TAS1R1
SCHEMBL4019187 0.85 EPHX2 (0.46) EPHX2HTTTRPV1ALDH1A1TAS1R3
SCHEMBL4016100 0.85 TRPV1 (0.51) EPHX2HTTTRPV1DHODHTAS1R3
SCHEMBL4014098 0.85 EPHX2 (0.46) EPHX2HTTTRPV1ALDH1A1EPHX1
SCHEMBL4014373 0.84 HTT (0.49) EPHX2HTTTRPV1
SCHEMBL4018120 0.82 TAS1R3 (0.52) EPHX2HTTTAS1R3TAS1R1TAS1R2
SCHEMBL4014517 0.80 P2RX7 (0.46) EPHX2HTTTRPV1EPHX1TAS1R3
SCHEMBL1150598 0.79 S1PR1 (0.34)

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.