SCHEMBL4770779

SCHEMBL4770779

O=C(C(S)Cc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.58
KMT2A Q03164 3/20 0.56
CACNA2D1 P54289 2/20 0.56
CACNA1B Q00975 2/20 0.56
CACNB1 Q02641 2/20 0.56
CACNA1C Q13936 2/20 0.56
CACNA1H O95180 1/20 0.56
MAOB P27338 1/20 0.55
ATM Q13315 1/20 0.55
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 1/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
MGLL Q99685 1/20 0.51
NPC1 O15118 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
SCHEMBL4778092 0.88 CACNA2D1 (0.58) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4776603 0.83 KMT2A (0.60) CHRM1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4772720 0.80 CACNA1G (0.54) CACNA2D1CACNA1BCACNB1CACNA1CMAPT
SCHEMBL27723065 0.78 KMT2A (0.57) CHRM1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4778274 0.76 DPP4 (0.61) CHRM1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL4775433 0.76 KMT2A (0.54) CHRM1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL29321595 0.76 KMT2A (0.71) CHRM1KMT2ACACNA2D1CACNA1BCACNB1
SCHEMBL7391221 0.76 DPP8 (0.62) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL7391223 0.76 DPP8 (0.62) KMT2ACACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL4775004 0.76 AKT1 (0.55) CHRM1KMT2ACACNA2D1CACNA1BCACNB1

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 CHRM1 557/4885KMT2A 41/4885CACNA2D1 4234/4885

“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.