SCHEMBL22434716

SCHEMBL22434716

CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(O)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
HSD11B1 P28845 1/20 0.46
KDM4D Q6B0I6 1/20 0.45
GPR119 Q8TDV5 8/20 0.43
MCHR1 Q99705 2/20 0.43
USP30 Q70CQ3 2/20 0.42
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CHRM4 P08173 1/20 0.39
SPR P35270 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL22434605 1.00 PDE10A (0.47) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL20887743 0.93 KIF18A (0.43) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL31142600 0.92 GPR119 (0.47) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL26100075 0.89 PDE10A (0.46) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL16544566 0.89 NOTUM (0.48) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL2171923 0.89 PDE10A (0.46) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL803327 0.86 KDM4D (0.53) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL22957556 0.84 PDE10A (0.43) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL3270354 0.83 MCHR1 (0.45) PDE10AAAK1HSD11B1KDM4DGPR119
SCHEMBL1393433 0.83 HSD11B1 (0.45) PDE10AAAK1HSD11B1GPR119MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS BOEHRINGER INGELHEIM RCV GMBH & CO. KG (AT) 2020-09-17 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-20200291020-A1 NEW [1,6]NAPHTHYRIDINE COMPOUNDS AND DERIVATIVES AS CDK8/CDK19 INHIBITORS CDK9, CDK19, CDK8 PDE10A 2706/4885AAK1 1821/4885HSD11B1 2964/4885

“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.