SCHEMBL15545669

SCHEMBL15545669

O=C(O)CNC(=O)c1ccccc1N1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.44
HTR1A P08908 3/20 0.44
RBP4 P02753 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR5A P47898 1/20 0.44
BACE1 P56817 2/20 0.44
ADRB1 P08588 2/20 0.44
KEAP1 Q14145 1/20 0.44
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42

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
SCHEMBL9283305 0.84 OPRD1 (0.50) HTR6HTR1AHTR2AHTR7BACE1
SCHEMBL5666316 0.82 TSHR (0.48) HTR1AHTR2AADRB1
SCHEMBL5564533 0.81 BACE1 (0.44) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL8623037 0.81 BACE1 (0.51) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL8092711 0.81 ITGB3 (0.43) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL5563018 0.80 MAPK1 (0.51) HTR6ADRB1KMT2A
SCHEMBL7841604 0.80 ALDH1A1 (0.54) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL1742847 0.80 ADRB1 (0.51) HTR6HTR1AHTR2AHTR7HTR5A
SCHEMBL5563304 0.79 ALDH1A1 (0.46) BACE1ADRB1
SCHEMBL16230836 0.79 PRMT5 (0.44) HTR6HTR1AHTR2AHTR7HTR5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148464-A1 SALT FORMS OF FATTY ACIDS FOR THE TREATMENT OF DRY EYE THETIS PHARMACEUTICALS LLC (US) 2014-05-29 US disclosed
WO-2014008379-A2 DIAMINE AND MEGLUMINE SALT FORMS OF FATTY ACIDS THETIS PHARMACEUTICALS LLC (US) 2014-01-09 WO 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-20140148464-A1 SALT FORMS OF FATTY ACIDS FOR THE TREATMENT OF DRY EYE SLC27A1, SLC27A2, FFAR2 HTR6 1740/4885HTR1A 2713/4885RBP4 185/4885

“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.