SCHEMBL4259153

SCHEMBL4259153

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FPR1 P21462 2/20 0.45
FPR2 P25090 2/20 0.45
HTT P42858 2/20 0.42
MAP4K4 O95819 1/20 0.41
LCK P06239 2/20 0.40
KDR P35968 2/20 0.40
TEK Q02763 2/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CHEK2 O96017 3/20 0.37
WDR5 P61964 2/20 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
SCHEMBL22164691 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL189139 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL20374356 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL29507787 0.91 ALDH1A1 (0.54) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL30221466 0.85 ALDH1A1 (0.44) ALDH1A1MAPTFPR1FPR2HTT
SCHEMBL15586057 0.85 ALDH1A1 (0.44) ALDH1A1MAPTFPR1FPR2HTT
SCHEMBL1749219 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL1749216 0.84 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1GFER
SCHEMBL1749921 0.84 ALDH1A1 (0.61) ALDH1A1MAPTTDP1FPR1FPR2
SCHEMBL14450220 0.84 FPR1 (0.43) FPR1FPR2LCKKDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-8828991-B2 Azacyclyl-substituted arylthienopyrimidinones, process for their preparation and their use as medicaments SANOFI (FR) 2014-09-09 US disclosed
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
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 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 (4 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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885
US-20090264403-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MRGPRX1, MRGPRX4 ALDH1A1 1961/4885LMNA 2658/4885MAPT 4710/4885
US-20090082339-A1 NOVEL AZACYCLYL-SUBSTITUTED ARYLTHIENOPYRIMIDINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, MPI, TPMT ALDH1A1 1981/4885LMNA 4077/4885MAPT 4471/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK ALDH1A1 4227/4885LMNA 1299/4885MAPT 3636/4885

“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.