SCHEMBL4776970

SCHEMBL4776970

Cc1ccc(Cl)cc1C1=CCN(C(=O)C(Cc2ccc(Cl)cc2)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.44
MC4R P32245 1/20 0.43
KMT2A Q03164 2/20 0.42
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CNR1 P21554 1/20 0.41
CYP3A4 P08684 1/20 0.40
UGCG Q16739 1/20 0.40
CTSL P07711 1/20 0.40
PABPC1 P11940 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP51A1 Q16850 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 1/20 0.39
P2RX7 Q99572 2/20 0.39
CACNA1B Q00975 1/20 0.39
PARP1 P09874 1/20 0.38
CCR1 P32246 1/20 0.38

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
SCHEMBL4793472 0.84 CCR1 (0.47) ADORA1MC4RKMT2ACNR1CTSL
SCHEMBL6017821 0.81 AKT1 (0.46) ADORA1KMT2AFNTAFNTBCNR1
SCHEMBL4794341 0.80 KMT2A (0.44) ADORA1MC4RKMT2AFNTAFNTB
SCHEMBL4794718 0.80 AKT1 (0.46)
SCHEMBL4321326 0.78 CNR1 (0.55) KMT2ACNR1SCN9A
SCHEMBL2795241 0.76 KMT2A (0.52) MC4RKMT2ACYP3A4UGCGPABPC1
SCHEMBL9091494 0.76 KMT2A (0.52) MC4RKMT2ACYP3A4UGCGPABPC1
SCHEMBL6162295 0.75 KMT2A (0.58) MC4RKMT2ACYP3A4UGCGPABPC1
SCHEMBL6162303 0.75 KMT2A (0.58) MC4RKMT2ACYP3A4UGCGPABPC1
SCHEMBL4510471 0.72 MC4R (0.56) MC4RKMT2APABPC1MAPK1P2RX7

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 5 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
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 ADORA1 809/4885MC4R 1782/4885KMT2A 41/4885

“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.