SCHEMBL3262200

SCHEMBL3262200

CC(=O)N1CCN(Cc2cc(Cl)ccc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.52
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.49
DDR1 Q08345 1/20 0.48
MEN1 O00255 1/20 0.48
ATM Q13315 1/20 0.48
HTR6 P50406 1/20 0.47
FAAH O00519 2/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
KDM4E B2RXH2 2/20 0.46
GPR183 P32249 2/20 0.46
CHRM1 P11229 1/20 0.45
HTR2A P28223 1/20 0.45
MCHR1 Q99705 1/20 0.45

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
SCHEMBL7947733 0.86 HRH3 (0.55) HRH3LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL11154695 0.84 ALDH1A1 (0.61) HRH3LMNAKMT2AALDH1A1HPGD
SCHEMBL3175046 0.81 ALDH1A1 (0.60) ALDH1A1DDR1HTR6KDM4E
SCHEMBL27644822 0.80 DDR1 (0.47) KMT2ADDR1MEN1FAAH
SCHEMBL3173860 0.77 DDR1 (0.51) ALDH1A1DDR1KDM4E
SCHEMBL29067014 0.77 CCR5 (0.53) KMT2AALDH1A1DDR1MEN1KDM4E
SCHEMBL21802509 0.76 MGLL (0.53) HRH3LMNAKMT2AALDH1A1MEN1
SCHEMBL23230116 0.75 HRH3 (0.53) HRH3LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL3175715 0.75 CYP2A13 (0.67) HRH3LMNAL3MBTL1ALDH1A1ATM
SCHEMBL27644826 0.75 DDR1 (0.43) KMT2AALDH1A1DDR1MEN1KDM4E

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
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-7645760-B2 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG. (CH) 2010-01-12 US disclosed
US-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives NOVARTIS AG (CH) 2006-08-03 US disclosed
EP-1558594-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES Novartis AG (CH) 2005-08-03 EP disclosed
WO-2004037796-A2 1-(4-BENZYL-PIPERAZIN-1-YL)-3-PHENYL-PROPENONE DERIVATIVES NOVARTIS AG (CH) 2004-05-06 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-20060173004-A1 1-(4-Benzyl-piperazin-1-yl)-3-phenyl-propenone derivatives CCR1, CCR3, CCR4 HRH3 462/4885LMNA 3218/4885L3MBTL1 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.