SCHEMBL5526488

SCHEMBL5526488

CN(C=O)CCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.59
AOC3 Q16853 4/20 0.55
SIGMAR1 Q99720 6/20 0.48
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FDPS P14324 1/20 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
SCHEMBL1300014 1.00 TAAR1 (0.59) TAAR1AOC3SIGMAR1MEN1NPC1
SCHEMBL5548324 0.88 AOC3 (0.58) TAAR1AOC3SIGMAR1
SCHEMBL5535244 0.86 SIGMAR1 (0.61) TAAR1AOC3SIGMAR1FDPS
SCHEMBL17715348 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
SCHEMBL17715342 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
SCHEMBL17715343 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
SCHEMBL5544017 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
SCHEMBL5543664 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
SCHEMBL17715347 0.85 SIGMAR1 (0.65) TAAR1AOC3SIGMAR1FDPS
Dimethylformamide SCHEMBL8332170 0.80 TAAR1 (0.54) TAAR1AOC3SIGMAR1KMT2A

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-7241770-B2 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH (DE) 2007-07-10 US disclosed
US-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS GMBH. 2005-06-16 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-20050131004-A1 Hydronopol derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 TAAR1 560/4885AOC3 382/4885SIGMAR1 19/4885

“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.