SCHEMBL4793472

SCHEMBL4793472

CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC=C(c2cccc(-c3ccccc3)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
ADORA1 P30542 1/20 0.47
KMT2A Q03164 3/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
CTSB P07858 1/20 0.46
NPC1 O15118 1/20 0.45
MC4R P32245 1/20 0.45
MAPK1 P28482 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CNR1 P21554 1/20 0.43
CTSL P07711 1/20 0.43
SCN9A Q15858 1/20 0.43
PARP1 P09874 2/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
PABPC1 P11940 1/20 0.42
ACE P12821 1/20 0.42

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
SCHEMBL4792143 0.86 CCR1 (0.51) CCR1KMT2ANPC1CRHBPCRHR2
SCHEMBL4776970 0.84 ADORA1 (0.44) CCR1ADORA1KMT2AMC4RMAPK1
SCHEMBL4794341 0.83 KMT2A (0.44) CCR1ADORA1KMT2ACTSSCTSK
SCHEMBL4793703 0.80 KMT2A (0.56) CCR1KMT2ACTSSCTSKCTSB
SCHEMBL4794672 0.80 KMT2A (0.56) CCR1KMT2ACTSSCTSKCTSB
SCHEMBL4770788 0.80 AKT1 (0.52) CCR1KMT2ACNR1
SCHEMBL4771069 0.80 AKT1 (0.52) CCR1KMT2ACNR1
SCHEMBL15810045 0.77 HRH2 (0.58) KMT2ACTSSCTSKCTSBMC4R
SCHEMBL4510471 0.77 MC4R (0.56) CCR1KMT2ACTSSCTSKMC4R
SCHEMBL5064576 0.77 HRH2 (0.58) KMT2ACTSSCTSKCTSBMC4R

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 CCR1 2053/4885ADORA1 809/4885KMT2A 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.