SCHEMBL450916

SCHEMBL450916

Nc1ccccc1CC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
CYP2C19 P33261 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
GRIN2B Q13224 9/20 0.58
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP3A4 P08684 3/20 0.52
HTT P42858 1/20 0.50
TPSAB1 Q15661 2/20 0.49
TPSD1 Q9BZJ3 2/20 0.49
TPSG1 Q9NRR2 2/20 0.49
FAAH O00519 1/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48

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
SCHEMBL8299567 0.82 SMN1; SMN2 (0.58) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL618588 0.82 SMN1; SMN2 (0.71) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL450556 0.82 MEN1 (0.46) CYP2C19CYP2C9MEN1KMT2AFAAH
Hydrochloric Acid SCHEMBL23301123 0.81 SMN1; SMN2 (0.69) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL458805 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL15140566 0.80 SMN1; SMN2 (0.72) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL4364637 0.80 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL4203844 0.79 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL21551129 0.79 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL10089216 0.79 SMN1; SMN2 (0.70) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B

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 10 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
EP-2170848-B1 PYRAZINONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF LUNG DISEASES ASTRAZENECA AB (SE) 2014-10-22 EP disclosed
CN-101842361-B Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2013-06-05 CN disclosed
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES BROUGH STEPHEN (GB) 2013-01-10 US disclosed
US-8299246-B2 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) 2012-10-30 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
CN-101842361-A Pyrazinone derivatives and their use in the treatment of lung diseases ASTRAZENECA AB 2010-09-22 CN 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-20120065214-A1 COMPOUNDS AND THEIR USES 708 CYP3A7, CYP2C8, CYP2C18 SMN1; SMN2 4272/4885CYP2C19 17/4885NPC1 1095/4885
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 SMN1; SMN2 2301/4885CYP2C19 17/4885NPC1 539/4885
US-20150073136-A1 PYRAZINONE DERIVATIVES CYP3A7, CYP3A4, CYP2D6 SMN1; SMN2 4309/4885CYP2C19 5/4885NPC1 2159/4885
US-20130012523-A1 PYRAZINONE DERIVATIVES, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AND THEIR USES CYP3A7, CYP3A5, CYP2C19 SMN1; SMN2 4229/4885CYP2C19 3/4885NPC1 2413/4885

“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.