SCHEMBL7519879

SCHEMBL7519879

CCOC1(OCC)CCN(C)C(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACHE P22303 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RPS6KA2 Q15349 1/20 0.36

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
SCHEMBL7521247 0.83 KDM4E (0.41) ACHEALDH1A1
SCHEMBL5768074 0.81 OPRM1 (0.34) CYP2C19ALDH1A1RPS6KA2
SCHEMBL5768077 0.81 OPRM1 (0.34) CYP2C19ALDH1A1RPS6KA2
SCHEMBL5769113 0.81 OPRM1 (0.34) CYP2C19ALDH1A1RPS6KA2
SCHEMBL5769115 0.81 OPRM1 (0.34) CYP2C19ALDH1A1RPS6KA2
SCHEMBL7516886 0.76 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19ALDH1A1RPS6KA2
SCHEMBL15485496 0.69 HTR2C (0.43) CYP1A2CYP2C9CYP2C19ACHE
SCHEMBL15485406 0.66 KMT2A (0.48) ALDH1A1
SCHEMBL7426892 0.65 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19ACHEALDH1A1
SCHEMBL6957478 0.63 ACHE (0.74) CYP1A2CYP2C9CYP2C19ACHEALDH1A1

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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2002-07-25 US disclosed
WO-2002004458-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2002-01-17 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-20020099073-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPN1, PTPRO, PTPRS CYP1A2 2078/4885CYP2C9 1922/4885CYP2C19 2261/4885

“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.