SCHEMBL4773516

SCHEMBL4773516

NC(Cc1ccccc1Cl)C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.59
MAPT P10636 3/20 0.59
AKT1 P31749 3/20 0.59
AKT2 P31751 3/20 0.59
AKT3 Q9Y243 3/20 0.59
HTT P42858 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
MC4R P32245 2/20 0.52
DPP4 P27487 1/20 0.52
USP2 O75604 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.47
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 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
SCHEMBL4778450 0.86 HDAC8 (0.58) AKT1AKT2AKT3MC4RHDAC8
SCHEMBL4770617 0.84 AKT1 (0.59) TP53MAPTAKT1AKT2AKT3
SCHEMBL4772342 0.83 POLB (0.62) TP53MAPTAKT1AKT2AKT3
Hydrochloric Acid SCHEMBL6980746 0.82 POLB (0.61) TP53MAPTAKT1AKT2AKT3
SCHEMBL4775798 0.81 MEN1 (0.64) TP53MAPTAKT1AKT2AKT3
SCHEMBL4773309 0.81 AKT1 (0.57) TP53MAPTAKT1AKT2AKT3
SCHEMBL4908436 0.80 HDAC8 (0.71) AKT1AKT2AKT3MC4RHDAC8
SCHEMBL19576823 0.80 AKT1 (0.58) AKT1AKT2AKT3MC4RHDAC8
SCHEMBL4795185 0.79 DPP4 (0.60) TP53MAPTAKT1AKT2AKT3
SCHEMBL4775342 0.78 AKT1 (0.57) AKT1AKT2AKT3CYP3A4MC4R

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 4 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
US-20080255149-A1 Carboxyamine Compounds and Methods of Use Thereof NOVARTIS AG 2008-10-16 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 (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 TP53 2647/4885MAPT 1165/4885AKT1 3114/4885

“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.