SCHEMBL7516886

SCHEMBL7516886

CCOC1(OCC)CCNC(CN2C(=O)c3ccccc3C2=O)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
LMNA P02545 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
HPGD P15428 2/20 0.33
DRD3 P35462 1/20 0.33
PLIN1 O60240 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
PLIN5 Q00G26 1/20 0.33
ABHD5 Q8WTS1 1/20 0.33

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
SCHEMBL16277757 0.78 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL16282518 0.78 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL5837627 0.75 CYP1A2 (0.43) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
Hydrochloric Acid SCHEMBL5837668 0.74 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19LMNA
SCHEMBL7521247 0.71 KDM4E (0.41) ALDH1A1HPGD
SCHEMBL15672061 0.70 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19DRD3
SCHEMBL14563296 0.70 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19DRD3
SCHEMBL5769115 0.70 OPRM1 (0.34) ALDH1A1CYP2C19RPS6KA2DRD3
SCHEMBL5768077 0.70 OPRM1 (0.34) ALDH1A1CYP2C19RPS6KA2DRD3
SCHEMBL5769113 0.70 OPRM1 (0.34) ALDH1A1CYP2C19RPS6KA2DRD3

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 ALDH1A1 1785/4885CYP1A2 2078/4885CYP2C9 1922/4885

“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.