SCHEMBL4288048

SCHEMBL4288048

CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(N)cc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
AAK1 Q2M2I8 1/20 0.42
HSD11B1 P28845 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP30 Q70CQ3 3/20 0.38
PIK3CD O00329 1/20 0.38
ACACB O00763 1/20 0.38
FPR1 P21462 1/20 0.38
FPR2 P25090 1/20 0.38
GAA P10253 3/20 0.38
NPY5R Q15761 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4294688 1.00 PDE10A (0.43) PDE10AAAK1HSD11B1KDM4DALDH1A1
SCHEMBL13419728 0.95 ALDH1A1 (0.42) PDE10AAAK1HSD11B1KDM4DALDH1A1
SCHEMBL29772858 0.87 PDE10A (0.45) PDE10AAAK1HSD11B1KDM4DMAPT
SCHEMBL31485219 0.87 PDE10A (0.43) PDE10AAAK1HSD11B1KDM4DALDH1A1
SCHEMBL29772884 0.87 PDE10A (0.45) PDE10AAAK1HSD11B1KDM4DMAPT
SCHEMBL24628490 0.87 PDE10A (0.45) PDE10AAAK1HSD11B1KDM4DMAPT
SCHEMBL2302086 0.86 AAK1 (0.45) PDE10AAAK1HSD11B1KDM4DALDH1A1
SCHEMBL2302088 0.86 AAK1 (0.45) PDE10AAAK1HSD11B1KDM4DALDH1A1
SCHEMBL31334155 0.85 ALDH1A1 (0.40) KDM4DALDH1A1LMNAMAPTMAPK1
SCHEMBL1749216 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1GFER

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-8822495-B2 Azacyclyl-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-02 US disclosed
EP-1987020-B1 AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI SA (FR) 2012-10-03 EP disclosed
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-10-22 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-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 PDE10A 1177/4885AAK1 2536/4885HSD11B1 1567/4885

“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.