SCHEMBL3552442

SCHEMBL3552442

c1ccc2nc(N3CCCCC3)cnc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.70
▸ RAB9A P51151 6/20 0.70
▸ MAPT P10636 6/20 0.70
▸ ALDH1A1 P00352 4/20 0.70
▸ SMN1; SMN2 Q16637 3/20 0.70
▸ GAA P10253 3/20 0.70
▸ NFKB1 P19838 2/20 0.70
▸ NFKB2 Q00653 2/20 0.70
▸ RELA Q04206 2/20 0.70
▸ HTR3A P46098 1/20 0.70
▸ HRH4 Q9H3N8 1/20 0.70
▸ HPGD P15428 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ KDM4E B2RXH2 4/20 0.62
▸ NPSR1 Q6W5P4 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ TSHR P16473 1/20 0.55
▸ MAPK1 P28482 1/20 0.55

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
SCHEMBL29832295 0.98 NPC1 (0.72) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31184151 0.98 NPC1 (0.72) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL1713999 0.85 NPC1 (0.70) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL7694046 0.84 NPC1 (0.51) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL6350588 0.84 CHRNB2 (0.62) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL5910889 0.82 NPC1 (0.57) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL24830044 0.82 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL2114532 0.82 NPC1 (0.66) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL31184229 0.82 NPC1 (0.71) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL606857 0.82 HRH4 (1.00) NPC1RAB9AMAPTALDH1A1SMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458934-B Quinoxaline compounds and application thereof 米伦纽姆医药公司 2019-08-16 — — CN disclosed
CN-106458934-A Quinoxaline compounds and uses thereof 米伦纽姆医药公司 2017-02-22 — — CN disclosed
WO-2015018797-A2 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2015-02-12 — — WO disclosed
US-7645776-B2 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia HOFFMANN-LA ROCHE INC. (US) 2010-01-12 — — US disclosed
US-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 — — US disclosed
EP-0104445-A3 PIPERIDINOQUINOXALINE DERIVATIVES, THEIR PREPARATION AND USE BOEHRINGER INGELHEIM KG (DE) 1985-07-10 — — EP disclosed
EP-0104445-A2 Piperidinoquinoxaline derivatives, their preparation and use BOEHRINGER INGELHEIM KG (DE) 1984-04-04 — — EP 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 (1 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-20070129544-A1 (R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone; carnitine-dependent palmitoyltransferases (CPTs); reduce liver beta -oxidation, consequently inhibit gluconeogenesis and therefore counteract hyperglycemia CPT1A, CPT1B, CPT2 NPC1 301/4885RAB9A 4315/4885MAPT 2655/4885

“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.

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