SCHEMBL4776886

SCHEMBL4776886

NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.56
AKT2 P31751 3/20 0.56
AKT3 Q9Y243 3/20 0.56
GRM5 P41594 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 4/20 0.54
KDM4E B2RXH2 2/20 0.54
DPP7 Q9UHL4 2/20 0.52
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 1/20 0.51
FFAR1 O14842 2/20 0.51
DPP4 P27487 1/20 0.51
FAP Q12884 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP9 Q86TI2 1/20 0.51
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL4772342 0.89 POLB (0.62) AKT1AKT2AKT3GRM5POLB
Hydrochloric Acid SCHEMBL6980746 0.88 POLB (0.61) AKT1AKT2AKT3GRM5POLB
SCHEMBL4795185 0.85 DPP4 (0.60) AKT1AKT2AKT3GRM5POLB
SCHEMBL7339167 0.83 KDM4E (0.54) GRM5POLBMAPTKDM4EFFAR1
SCHEMBL7372150 0.83 DPP7 (0.57) POLBDPP7HRH2HRH1DPP4
SCHEMBL7371854 0.83 DPP7 (0.57) POLBDPP7HRH2HRH1DPP4
SCHEMBL7366398 0.82 DPP7 (0.71) DPP7DPP4FAPDPP8DPP9
SCHEMBL7369861 0.82 FAAH (0.62) KDM4EDPP7HRH2HRH1TP53
SCHEMBL7369855 0.82 FAAH (0.62) KDM4EDPP7HRH2HRH1TP53
SCHEMBL7403643 0.81 DPP4 (0.61) DPP7DPP4FAPDPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP claimed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US claimed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 WO claimed
EP-1996550-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES Novartis AG (CH) 2008-12-03 EP disclosed
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 US disclosed
WO-2007038459-A2 CARBOXYAMINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF HDAC DEPENDENT DISEASES NOVARTIS AG (CH) 2007-04-05 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-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof HNMT, HDAC5, HDAC4 AKT1 3114/4885AKT2 2960/4885AKT3 3021/4885

“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.