SCHEMBL4779237

SCHEMBL4779237

NC(Cc1cccc(C(F)(F)F)c1)C(=O)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.54
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
DPP4 P27487 3/20 0.52
DPP7 Q9UHL4 3/20 0.52
DPP8 Q6V1X1 2/20 0.52
DPP9 Q86TI2 2/20 0.52
HDAC8 Q9BY41 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.49
SIGMAR1 Q99720 2/20 0.47
TACR1 P25103 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL4772341 0.87 FAAH (0.61) FAAHCYP2D6CYP2C9ALOX15TSHR
SCHEMBL4770627 0.87 DPP4 (0.53) FAAHCYP2C9TSHRDPP4DPP7
SCHEMBL4773356 0.85 HDAC8 (0.69) FAAHCYP2D6CYP2C9ALOX15TSHR
SCHEMBL4779064 0.84 TSHR (0.51) FAAHCYP2D6CYP2C9ALOX15TSHR
SCHEMBL4779239 0.83 HDAC8 (0.58) FAAHCYP2D6CYP2C9ALOX15TSHR
SCHEMBL4795024 0.82 HDAC8 (0.76) DPP4DPP7DPP8DPP9HDAC8
SCHEMBL4794738 0.81 HDAC8 (0.63) DPP4DPP7DPP8DPP9HDAC8
SCHEMBL4779245 0.80 SIGMAR1 (0.55) FAAHCYP2C19DPP4DPP7DPP8
SCHEMBL4772832 0.79 CYP2D6 (0.53) FAAHCYP2D6CYP2C9ALOX15TSHR
SCHEMBL30747663 0.78 FAAH (0.67) FAAHKDM4EALDH1A1GAALMNA

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 5 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
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 FAAH 740/4885UBE2M 2925/4885DCUN1D1 2226/4885

“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.