SCHEMBL7781292

SCHEMBL7781292

O=C(O)[C@@H]1CCCN1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.46
PRKG1 Q13976 1/20 0.46
SPHK1 Q9NYA1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CD274 Q9NZQ7 9/20 0.43
PDCD1 Q15116 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SLC6A9 P48067 2/20 0.42
CCR4 P51679 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
SCHEMBL7781291 1.00 CYP1A2 (0.50) CYP1A2CYP2C19PRKG1SPHK1SMN1; SMN2
SCHEMBL24976319 0.91 NOTUM (0.43) CYP1A2CYP2C19PRKG1SMN1; SMN2CD274
SCHEMBL1817183 0.86 CYP1A2 (0.51) CYP1A2CYP2C19SPHK1SMN1; SMN2CD274
SCHEMBL2032294 0.86 CYP1A2 (0.51) CYP1A2CYP2C19SPHK1SMN1; SMN2CD274
SCHEMBL3148407 0.86 CYP1A2 (0.51) CYP1A2CYP2C19SPHK1SMN1; SMN2CD274
SCHEMBL3148367 0.86 NPBWR1 (0.53) CYP1A2SPHK1CD274PDCD1SLC6A9
SCHEMBL2030130 0.86 NPBWR1 (0.53) CYP1A2SPHK1CD274PDCD1SLC6A9
SCHEMBL1815987 0.86 NPBWR1 (0.53) CYP1A2SPHK1CD274PDCD1SLC6A9
SCHEMBL7790236 0.83 KDM4E (0.47) PRKG1SMN1; SMN2CD274PDCD1
SCHEMBL7790240 0.83 KDM4E (0.47) PRKG1SMN1; SMN2CD274PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010056185-A1 C3A receptor ligands LEE DENNIS (US) 2001-12-27 US disclosed
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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-20010056185-A1 C3A receptor ligands C3AR1, C5AR1, C5AR2 CYP1A2 3030/4885CYP2C19 3720/4885PRKG1 3024/4885

“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.