Sugi Predict

Sugi Predict / Compounds / SCHEMBL942374

SCHEMBL942374

SCHEMBL942374

COc1cccc(OC2CCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 4/20 0.51
▸ SYK P43405 2/20 0.47
▸ BRD4 O60885 1/20 0.45
▸ ROCK1 Q13464 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ CHUK O15111 1/20 0.42
▸ LCK P06239 1/20 0.42
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A4 P31645 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PIM1 P11309 2/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ KHK P50053 1/20 0.40
▸ HTR1A P08908 1/20 0.40

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
SCHEMBL28670810 0.90 CHRNB2 (0.50) HRH1SYKSLC6A2SLC6A4KCNH2
SCHEMBL28670808 0.90 CHRNB2 (0.50) HRH1SYKSLC6A2SLC6A4KCNH2
SCHEMBL4503320 0.83 HRH1 (0.47) HRH1SYKBRD4ROCK1IKBKB
SCHEMBL4673396 0.83 BRD4 (0.48) HRH1SYKBRD4ROCK1IKBKB
SCHEMBL30845430 0.83 BRD4 (0.48) HRH1SYKBRD4ROCK1IKBKB
SCHEMBL12949688 0.83 PDGFRB (0.48) BRD4SLC6A2SLC6A4KCNH2DDB1
Hydrochloric Acid SCHEMBL5347934 0.82 BRD4 (0.47) HRH1SYKBRD4ROCK1IKBKB
SCHEMBL20412703 0.81 HRH1 (0.47) HRH1BRD4ROCK1IKBKBSLC6A2
SCHEMBL4674512 0.80 MEN1 (0.50) HRH1SYKBRD4ROCK1IKBKB
SCHEMBL5473678 0.80 HRH1 (0.47) HRH1SYKBRD4ROCK1IKBKB

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors NEUROSEARCH A/S (DK) 2007-01-25 — — US claimed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 — — EP claimed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 — — WO claimed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 — — WO claimed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-20110003853-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2011-01-06 — — US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 — — US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 — — US disclosed
US-7754750-B2 a -5 substituted 1-H,3-H-imidazolidine-2,4-dione such as 5-(2-{[4-(4'-fluoro[1,1'-biphenyl]-4-yl)-1-piperazinyl]sulfonyl}ethyl)-2,4-imidazolidinedione; protease inhibitors, especially metalloelastase (MMP12) ASTRAZENECA AB (SE) 2010-07-13 — — US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 — — US disclosed
US-7625934-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2009-12-01 — — US disclosed
EP-1638939-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2006-03-29 — — EP disclosed
WO-2004113297-A9 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2005-11-24 — — WO disclosed
WO-2004113297-A2 AZA-RING DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2004-12-29 — — WO disclosed
US-20040147573-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-29 — — US disclosed
EP-1370536-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
EP-1370556-A1 METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2003-12-17 — — EP disclosed
WO-2002074767-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO disclosed
WO-2002074750-A1 METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2002-09-26 — — WO 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-20070021404-A1 Novel aza-ring derivatives and their use as monoamine neurotransmitter re-uptake inhibitors SLC18A2, SLC6A2, SLC18A3 HRH1 667/4885SYK 3362/4885BRD4 1509/4885
US-20110003853-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP14 HRH1 2214/4885SYK 2224/4885BRD4 1973/4885
US-20040147573-A1 Metalloproteinase inhibitors MMP12, MMP7, MMP10 HRH1 1395/4885SYK 4077/4885BRD4 1467/4885

“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.