SCHEMBL5459335

SCHEMBL5459335

COc1ccc(C(=O)CCCl)c(C)c1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTT P42858 2/20 0.44
PDE4D Q08499 3/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
STAT6 P42226 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL11708856 0.83 HTT (0.56) LMNAMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL10992973 0.81 HMGCR (0.51) LMNAMAPK1SMN1; SMN2HTTPDE4D
SCHEMBL25236549 0.80 MAPT (0.51) LMNAMAPK1PDE4DALDH1A1CYP1A2
SCHEMBL4255074 0.78 PDE4D (0.53) LMNAMAPK1SMN1; SMN2PDE4DALDH1A1
SCHEMBL7496866 0.77 MAPT (0.46) LMNAMAPK1SMN1; SMN2HTTPDE4D
SCHEMBL11427275 0.76 MAPT (0.48) LMNAMAPK1SMN1; SMN2HTTALDH1A1
SCHEMBL27042972 0.76 ALDH1A1 (0.33) LMNAHTTALDH1A1HSD17B10MEN1
SCHEMBL31021034 0.75 FLT1 (0.49) LMNAMAPK1ALDH1A1CYP1A2MEN1
SCHEMBL982498 0.75 RAB9A (0.62) LMNASMN1; SMN2HTTALDH1A1MEN1
SCHEMBL4745099 0.75 LMNA (0.47) LMNAMAPK1SMN1; SMN2HTTPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues NEUROGEN CORPORATION (US) 2007-10-25 US disclosed
US-7253168-B2 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION (US) 2007-08-07 US disclosed
US-20060142301-A1 Substituted 1-benzyl-4-substituted piperazine analogues NEUROGEN CORPORATION 2006-06-29 US disclosed
US-20060009456-A1 Aryl-substituted piperazine derivatives NEUROGEN CORPORATION 2006-01-12 US 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 (3 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-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues MCHR1, MCHR2, PRLHR LMNA 3670/4885MAPK1 2880/4885SMN1; SMN2 654/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR LMNA 4065/4885MAPK1 3869/4885SMN1; SMN2 1196/4885
US-20060142301-A1 Substituted 1-benzyl-4-substituted piperazine analogues MCHR1, MCHR2, PRLHR LMNA 3670/4885MAPK1 2880/4885SMN1; SMN2 654/4885

“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.