SCHEMBL5523656

SCHEMBL5523656

CCc1ccc([N]C=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.47
PLAU P00749 1/20 0.47
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA2 P00918 1/20 0.39
TP53 P04637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CYP2A6 P11509 1/20 0.37
LPL P06858 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
SCHEMBL5518344 0.79 CYP3A4 (0.53) CYP2C9ALDH1A1LMNAHPGDGRIN2D
SCHEMBL5342596 0.77 CYP3A4 (0.55) CYP2C9ALDH1A1LMNATP53LPL
SCHEMBL13805424 0.74 CYP2C9 (0.53) CYP2C9PLAUALDH1A1LMNAHPGD
SCHEMBL8267536 0.73 PLAU (0.52) CYP2C9PLAUALDH1A1HPGDGRIN2D
SCHEMBL5419235 0.73 CYP2A6 (0.46) CYP2C9PLAUALDH1A1LMNAHPGD
SCHEMBL93291 0.73 CYP3A4 (0.68) CYP2C9PLAUALDH1A1LMNAHPGD
SCHEMBL5533359 0.72 NQO1 (0.56) ALDH1A1SMN1; SMN2CA2TSHR
SCHEMBL24212689 0.72 PLAU (0.56) CYP2C9PLAUALDH1A1LMNAHPGD
SCHEMBL13638200 0.72 PLAU (0.56) CYP2C9PLAUALDH1A1LMNAHPGD
Formic Acid SCHEMBL27430708 0.72 ALDH1A1 (0.54) CYP2C9PLAUALDH1A1LMNAHPGD

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 CYP2C9 2709/4885PLAU 4811/4885ALDH1A1 498/4885

“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.