Sugi Predict

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SCHEMBL436952

SCHEMBL436952

[CH2-][NH2+][C@@H](c1ccccc1)[C@@H](C)CN1CCCN(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.50
▸ CHKA P35790 2/20 0.44
▸ MC4R P32245 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRM2 P08172 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ TBXA2R P21731 1/20 0.39

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
SCHEMBL438623 0.95 GAA (0.55) GAAMC4RALDH1A1POLBKDM4E
SCHEMBL435963 0.89 POLB (0.45) GAAALDH1A1POLBKDM4EGFER
SCHEMBL438819 0.88 POLB (0.44) ALDH1A1POLBKDM4EGFERL3MBTL1
SCHEMBL436907 0.82 MEN1 (0.42) GAAMC4RALDH1A1KDM4EGFER
SCHEMBL469007 0.80 GAA (0.54) GAACHKAMC4RALDH1A1POLB
SCHEMBL436940 0.80 MEN1 (0.48) ALDH1A1POLBKDM4EGFERL3MBTL1
SCHEMBL435990 0.80 SIGMAR1 (0.43) GAAALDH1A1KDM4EGFERL3MBTL1
SCHEMBL438879 0.80 KDM4E (0.39) GAAALDH1A1POLBKDM4EGFER
SCHEMBL438165 0.78 CYP1A2 (0.40) GAAALDH1A1KDM4EGFERL3MBTL1
SCHEMBL438868 0.78 SIGMAR1 (0.49) ALDH1A1KDM4ECYP2D6ADRA1ACYP3A4

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 GAA 1308/4885CHKA 1676/4885MC4R 686/4885
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 GAA 1796/4885CHKA 1086/4885MC4R 1556/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 GAA 3504/4885CHKA 1867/4885MC4R 680/4885

“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.