SCHEMBL4772832

SCHEMBL4772832

NC(Cc1ccccc1Cl)C(=O)N1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
FAAH O00519 1/20 0.52
HDAC8 Q9BY41 3/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
AKT3 Q9Y243 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
GPR183 P32249 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL4778032 0.90 HDAC8 (0.56) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4772341 0.87 FAAH (0.61) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4779064 0.86 TSHR (0.51) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4773356 0.85 HDAC8 (0.69) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4779239 0.85 HDAC8 (0.58) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4908880 0.82 EPHX2 (0.47) ALOX15TSHRHDAC8ALDH1A1KDM4E
SCHEMBL4779237 0.79 FAAH (0.54) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL4774648 0.79 HDAC8 (0.57) HDAC8AKT1AKT2AKT3HDAC3
SCHEMBL4908436 0.78 HDAC8 (0.71) HDAC8ALDH1A1AKT1AKT2AKT3
SCHEMBL4778030 0.78 HDAC8 (0.85) TSHRHDAC8ALDH1A1KDM4EAKT1

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 CYP2D6 1838/4885CYP2C9 1249/4885ALOX15 2110/4885

“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.