SCHEMBL5518344

SCHEMBL5518344

CCCCc1ccc([N]C=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CA1 P00915 1/20 0.44
RARB P10826 1/20 0.43
PLK1 P53350 1/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41

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
SCHEMBL5342596 0.93 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9ALDH1A1HSD17B10
SCHEMBL5523656 0.79 CYP2C9 (0.47) CYP3A4CYP2C9ALDH1A1HPGDCA2
SCHEMBL10253118 0.78 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL21699897 0.78 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL19930192 0.77 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL30069694 0.77 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL30102216 0.77 CYP3A4 (0.56) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
Formic Acid SCHEMBL28060935 0.77 ALDH1A1 (0.61) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL598023 0.77 CYP3A4 (0.59) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD
SCHEMBL18821767 0.77 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9ALDH1A1HPGD

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 CYP3A4 3173/4885CYP2D6 1625/4885CYP2C9 2709/4885

“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.