SCHEMBL438871

SCHEMBL438871

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCC2(CC1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GFER P55789 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL438171 0.84 KDM4E (0.38) ALDH1A1L3MBTL1POLBMAPK1KDM4E
SCHEMBL436940 0.83 MEN1 (0.48) ALDH1A1L3MBTL1MAPTSMN1; SMN2LMNA
SCHEMBL435963 0.81 POLB (0.45) ALDH1A1L3MBTL1TSHRSMN1; SMN2LMNA
SCHEMBL10269993 0.81 ALDH1A1 (0.48) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL436909 0.80 CYP2D6 (0.39) ALDH1A1L3MBTL1TSHRKMT2AMEN1
SCHEMBL438819 0.80 POLB (0.44) ALDH1A1L3MBTL1TSHRSMN1; SMN2HTT
SCHEMBL438623 0.79 GAA (0.55) ALDH1A1L3MBTL1TSHRPOLBKMT2A
SCHEMBL13559363 0.79 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRMAPTSMN1; SMN2
SCHEMBL435990 0.78 SIGMAR1 (0.43) ALDH1A1L3MBTL1LMNAKMT2AMEN1
SCHEMBL438879 0.78 KDM4E (0.39) ALDH1A1L3MBTL1POLBKDM4EGFER

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 ALDH1A1 340/4885L3MBTL1 4827/4885TSHR 403/4885
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 ALDH1A1 243/4885L3MBTL1 3952/4885TSHR 513/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 ALDH1A1 466/4885L3MBTL1 4427/4885TSHR 157/4885

“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.