SCHEMBL4772341

SCHEMBL4772341

NC(Cc1ccccc1)C(=O)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.61
TSHR P16473 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 3/20 0.56
HDAC8 Q9BY41 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.51
SIGMAR1 Q99720 1/20 0.51
MEN1 O00255 1/20 0.51

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
SCHEMBL4779239 0.91 HDAC8 (0.58) FAAHTSHRCYP2D6CYP2C9ALOX15
SCHEMBL4773356 0.89 HDAC8 (0.69) FAAHTSHRCYP2D6CYP2C9ALOX15
SCHEMBL1360150 0.87 ALDH1A1 (0.68) FAAHTSHRALDH1A1KDM4EHDAC8
SCHEMBL1360148 0.87 ALDH1A1 (0.68) FAAHTSHRALDH1A1KDM4EHDAC8
SCHEMBL4772832 0.87 CYP2D6 (0.53) FAAHTSHRCYP2D6CYP2C9ALOX15
SCHEMBL4779237 0.87 FAAH (0.54) FAAHTSHRCYP2D6CYP2C9ALOX15
Hydrochloric Acid SCHEMBL1361906 0.86 ALDH1A1 (0.67) FAAHTSHRALDH1A1KDM4EHDAC8
Hydrochloric Acid SCHEMBL1361908 0.86 ALDH1A1 (0.67) FAAHTSHRALDH1A1KDM4EHDAC8
SCHEMBL4779064 0.85 TSHR (0.51) FAAHTSHRCYP2D6CYP2C9ALOX15
SCHEMBL4778032 0.83 HDAC8 (0.56) FAAHTSHRCYP2D6CYP2C9ALOX15

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 FAAH 740/4885TSHR 3750/4885CYP2D6 1838/4885

“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.