SCHEMBL885086

SCHEMBL885086

CC(=O)NC1CCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.64
NPC1 O15118 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
RAB9A P51151 3/20 0.64
EPHX2 P34913 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MAPT P10636 1/20 0.64
CYP3A4 P08684 1/20 0.64
MMP2 P08253 3/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MMP8 P22894 1/20 0.52
MMP1 P03956 1/20 0.52
MMP3 P08254 1/20 0.52
MAPK1 P28482 1/20 0.52
DUSP3 P51452 1/20 0.52
PTPN5 P54829 1/20 0.52

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
SCHEMBL396759 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL15632426 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL14525167 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL3038208 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL16317723 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL2047092 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL13366811 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL16317726 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL13074022 1.00 EPHX1 (0.64) EPHX1NPC1SMN1; SMN2RAB9AEPHX2
SCHEMBL5511500 0.97 EPHX1 (0.61) EPHX1NPC1SMN1; SMN2RAB9AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148537-B2 Substituted acetophenones useful as PDE4 inhibitors LEO PHARMA A/S (DK) 2012-04-03 US claimed
EP-2125736-B1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA AS (DK) 2011-03-30 EP claimed
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA (DK) 2010-02-11 US claimed
EP-2125736-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS Leo Pharma A/S (DK) 2009-12-02 EP claimed
WO-2008077404-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS LEO PHARMA A/S (DK) 2008-07-03 WO claimed
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP claimed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US claimed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US claimed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 US claimed
EP-1198464-B1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA SA (ES) 2003-10-08 EP claimed
EP-1307458-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2003-05-07 EP claimed
US-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2003-03-27 US claimed
EP-1198464-A1 8-PHENYL-6,9-DIHYDRO- 1,2,4]TRIAZOLO 3,4- i i /i ]PURIN-5-ONE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2002-04-24 EP claimed
WO-2002012246-A1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2002-02-14 WO claimed
WO-2001007441-A1 8-PHENYL-6,9-DIHYDRO-[1,2,4]TRIAZOLO[3,4-i]PURIN-5-ONE DERIVATIVES ALMIRALL PRODESFARMA S.A. (ES) 2001-02-01 WO claimed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP claimed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO claimed
WO-2024135609-A1 LINKER FOR NUCLEIC ACID SYNTHESIS, CARRIER, AND METHODS FOR PRODUCING SAME シンクレスト株式会社 2024-06-27 WO disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 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 (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-20030060627-A1 8-Phenyl-6, 9-dihydro-[1,2,4] triazolo[3,4-i]purin-5-one derivatives HYOU1, CHN2, PURB EPHX1 2265/4885NPC1 2439/4885SMN1; SMN2 3742/4885
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A EPHX1 647/4885NPC1 4158/4885SMN1; SMN2 3292/4885
US-20100035908-A1 SUBSTITUTED ACETOPHENONES USEFUL AS PDE4 INHIBITORS PDE4A, PDE4B, PDE3B EPHX1 634/4885NPC1 2847/4885SMN1; SMN2 2462/4885

“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.