SCHEMBL4794672

SCHEMBL4794672

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPK1 P28482 1/20 0.53
CCR1 P32246 10/20 0.52
PABPC1 P11940 1/20 0.50
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
MC4R P32245 1/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSB P07858 1/20 0.47

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
SCHEMBL4793703 1.00 KMT2A (0.56) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL2374758 0.86 KMT2A (0.68) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL2374766 0.86 KMT2A (0.68) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL4775641 0.85 CCR1 (0.56) CCR1
SCHEMBL6162295 0.82 KMT2A (0.58) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6162303 0.82 KMT2A (0.58) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL4699053 0.81 KMT2A (0.53) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL4699544 0.80 KMT2A (0.53) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL4793472 0.80 CCR1 (0.47) KMT2AMAPK1CCR1PABPC1HRH2
SCHEMBL5064576 0.80 HRH2 (0.58) KMT2AMAPK1PABPC1HRH2HRH1

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 3 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 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 KMT2A 41/4885MAPK1 3876/4885CCR1 2053/4885

“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.