SCHEMBL3168643

SCHEMBL3168643

CC(C)COc1cc(Br)c(N)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
KDM1A O60341 1/20 0.38
TLR8 Q9NR97 1/20 0.38
MAOA P21397 2/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
XDH P47989 2/20 0.34
AAK1 Q2M2I8 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL23914672 0.86 GAA (0.49) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL10423854 0.81 TSHR (0.47) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL25659027 0.81 NPC1 (0.55) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL8876498 0.77 GAA (0.44) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL7162693 0.76 ALDH1A1 (0.52) GAAALDH1A1L3MBTL1TSHRLMNA
SCHEMBL3165624 0.74 GAA (0.67) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL22714369 0.72 TSHR (0.43) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL17366264 0.72 ALDH1A1 (0.69) GAAALDH1A1L3MBTL1TSHRTDP1
SCHEMBL5880864 0.72 TSHR (0.57) GAAALDH1A1TSHRTDP1LMNA
SCHEMBL5241392 0.72 CNR2 (0.38)

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
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
CN-101570517-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-11-04 CN disclosed
CN-100554257-C 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2009-10-28 CN disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
CN-1708489-A 1- (4-benzyl-piperazin-1-yl) -3-phenyl-propenone derivatives NOVARTIS AG (CH) 2005-12-14 CN 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 GAA 2953/4885ALDH1A1 290/4885L3MBTL1 2266/4885

“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.