SCHEMBL5456925

SCHEMBL5456925

CC(=O)CC1CN(Cc2ccccc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
SIGMAR1 Q99720 1/20 0.46
SCN4A P35499 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2D6 P10635 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL5242188 1.00 LTA4H (0.54) LTA4HSIGMAR1SCN4AALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL27699395 0.90 LTA4H (0.48) LTA4HSIGMAR1SCN4AALDH1A1KDM4E
Tert-Butyl Formate SCHEMBL27699397 0.90 LTA4H (0.48) LTA4HSIGMAR1SCN4AALDH1A1KDM4E
SCHEMBL3493009 0.89 LTA4H (0.56) LTA4HSIGMAR1ALDH1A1KDM4ECYP2D6
SCHEMBL3626359 0.89 LTA4H (0.56) LTA4HSIGMAR1ALDH1A1KDM4ECYP2D6
SCHEMBL25154290 0.89 LTA4H (0.56) LTA4HSIGMAR1ALDH1A1KDM4ECYP2D6
SCHEMBL10674002 0.86 LTA4H (0.54) LTA4HSIGMAR1ALDH1A1KDM4ELMNA
SCHEMBL691443 0.86 LTA4H (0.54) LTA4HSIGMAR1SCN4AGAAPKM
SCHEMBL691646 0.86 LTA4H (0.54) LTA4HSIGMAR1SCN4AGAAPKM
Hydrochloric Acid SCHEMBL30412643 0.85 LTA4H (0.53) LTA4HSIGMAR1SCN4AGAAPKM

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-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
US-20050239791-A1 Substituted 1-heteroaryl-4-substituted piperazine and piperidine analogues NEUROGEN CORPORATION 2005-10-27 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 (4 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-20050239791-A1 Substituted 1-heteroaryl-4-substituted piperazine and piperidine analogues MCHR1, MCHR2, PRLHR LTA4H 2026/4885SIGMAR1 54/4885SCN4A 1763/4885
US-20070249616-A1 Substituted 1-Benzyl-4-Substituted Piperazine Analogues MCHR1, MCHR2, PRLHR LTA4H 2241/4885SIGMAR1 64/4885SCN4A 1377/4885
US-20060009456-A1 Aryl-substituted piperazine derivatives MCHR1, MCHR2, PRLHR LTA4H 2476/4885SIGMAR1 120/4885SCN4A 2961/4885
US-20060142301-A1 Substituted 1-benzyl-4-substituted piperazine analogues MCHR1, MCHR2, PRLHR LTA4H 2241/4885SIGMAR1 64/4885SCN4A 1377/4885

“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.