SCHEMBL5523449

SCHEMBL5523449

CC([N]C=O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ADRA2A P08913 4/20 0.40
ADRA2B P18089 4/20 0.40
ADRA2C P18825 4/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.37
F2 P00734 1/20 0.37

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
SCHEMBL25991088 0.79 ALDH1A1 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL6006538 0.79 ALDH1A1 (0.54) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL20307886 0.76 ALDH1A1 (0.47) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL615615 0.76 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL30692103 0.76 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL714591 0.75 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL29648886 0.75 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL29450632 0.75 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL29450615 0.75 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A
SCHEMBL547207 0.75 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19ALDH1A1ADRA2A

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 CYP1A2 946/4885CYP2C9 2709/4885CYP2C19 2217/4885

“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.