SCHEMBL438702

SCHEMBL438702

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCNC[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
DPP4 P27487 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 4/20 0.32
SLC6A4 P31645 4/20 0.32
OPRD1 P41143 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
HTR2C P28335 3/20 0.31
KCNH2 Q12809 1/20 0.31
SLC6A9 P48067 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL438875 0.81 LMNA (0.53) LMNACHRM2SLC6A9
SCHEMBL2608096 0.81 DPP4 (0.42) LMNASIGMAR1TDP1DPP4MEN1
SCHEMBL435990 0.79 SIGMAR1 (0.43) LMNASIGMAR1MEN1KMT2ASLC6A2
SCHEMBL13559368 0.79 LMNA (0.35) LMNASIGMAR1TDP1DPP4MEN1
SCHEMBL436957 0.75 MAPK14 (0.38) SIGMAR1KMT2A
SCHEMBL436908 0.75 MAPK14 (0.38) SIGMAR1KMT2A
SCHEMBL438868 0.73 SIGMAR1 (0.49) LMNASIGMAR1MEN1KMT2ACYP2D6
SCHEMBL438886 0.72 SIGMAR1 (0.40) SIGMAR1MEN1KMT2ACYP2D6OPRD1
SCHEMBL435963 0.72 POLB (0.45) LMNAMEN1KMT2ACYP2D6
SCHEMBL436953 0.71 L3MBTL1 (0.35) SIGMAR1SLC6A2SLC6A4

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-20150073136-A1 PYRAZINONE DERIVATIVES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8889692-B2 Pyrazinone derivatives, pharmaceutically acceptance salts thereof and their uses ASTRAZENECA AB (SE) 2014-11-18 US disclosed
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES ASTRAZENECA AB (SE) 2012-08-23 US disclosed
US-8163905-B2 Compounds and their uses 708 ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20120065214-A1 COMPOUNDS AND THEIR USES 708 ASTRAZENECA AB (SE) 2012-03-15 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-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 LMNA 2527/4885SIGMAR1 386/4885TDP1 3955/4885
US-20120214822-A1 N-CYCLOPROPYL-3-FLUORO-5-[3-[[1-[2-[2- [(2-HYDROXETHYL)AMINO] ETHOXY]PHENYL] CYCLOPROPYL] AMINO]-2-OXO- 1 (2H)-PYRAZINYL]-4-METHYL-BENZAMIDE, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, CYP3A5 LMNA 3168/4885SIGMAR1 209/4885TDP1 4011/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 LMNA 2990/4885SIGMAR1 349/4885TDP1 3656/4885

“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.