SCHEMBL4016560

SCHEMBL4016560

O=C(NCCF)NC1CCCCc2ccc(F)cc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
EPHX2 P34913 4/20 0.47
KMT2A Q03164 3/20 0.47
DHODH Q02127 2/20 0.47
TAS1R3 Q7RTX0 2/20 0.44
TAS1R1 Q7RTX1 2/20 0.44
TRPV1 Q8NER1 2/20 0.44
TAS1R2 Q8TE23 1/20 0.44
EPHX1 P07099 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TAOK3 Q9H2K8 1/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL4017499 0.91 EPHX2 (0.49) HTTEPHX2KMT2ADHODHTRPV1
SCHEMBL4018109 0.84 HTT (0.71) HTTEPHX2KMT2ADHODHTAS1R3
SCHEMBL4016138 0.81 TRPV1 (0.59) HTTEPHX2KMT2ATRPV1
SCHEMBL4016297 0.81 MTNR1A (0.54) HTTKMT2ADHODHTRPV1ALDH1A1
SCHEMBL4017640 0.79 KMT2A (0.56) HTTEPHX2KMT2ADHODHALDH1A1
SCHEMBL4017836 0.78 EPHX2 (0.48) HTTEPHX2KMT2ATRPV1
SCHEMBL4017010 0.78 TRPV1 (0.48) HTTEPHX2DHODHTRPV1EPHX1
SCHEMBL4014048 0.78 TRPV1 (0.49) HTTEPHX2KMT2ADHODHTRPV1
SCHEMBL24011023 0.76 BRD3 (0.57) HTTKMT2ADHODHTAS1R3TAS1R1
SCHEMBL4017021 0.75 MTNR1A (0.54)

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 HTT 3760/4885EPHX2 370/4885KMT2A 1449/4885

“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.