SCHEMBL1624945

SCHEMBL1624945

O=C(c1ccccc1)C1CCCC[N]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
HBB P68871 1/20 0.38
SRD5A2 P31213 1/20 0.38
SLC18A3 Q16572 2/20 0.37
EPHX1 P07099 1/20 0.37
KMO O15229 1/20 0.37
POLB P06746 1/20 0.36
ELANE P08246 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2646530 0.95 MCL1 (0.46) MCL1NPC1RAB9AMAPTALOX15
SCHEMBL8924501 0.77 MCL1 (0.44) MCL1NPC1RAB9AMAPTALOX15
SCHEMBL7373256 0.77 CES2 (0.43) NPC1RAB9AMAPTALOX15CYP2C9
SCHEMBL8087086 0.75 HPGD (0.58) RAB9AMAPTEPHX1POLBALDH1A1
SCHEMBL5758340 0.75 EPHX2 (0.47) EPHX1POLBALDH1A1
SCHEMBL1460238 0.73 ALDH1A1 (0.49) NPC1RAB9ATP53ALDH1A1
SCHEMBL965420 0.72 SRD5A2 (0.63) MCL1SRD5A2SLC18A3POLBELANE
SCHEMBL9920449 0.72 MCL1 (0.58) MCL1NPC1RAB9AMAPTALOX15
SCHEMBL2569683 0.72 KMT2A (0.39) MCL1MAPTALOX15HTTHBB
SCHEMBL133774 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US claimed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US claimed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US claimed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US claimed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US claimed
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-04-04 US claimed
US-6262069-B1 1-amino-7-isoquinoline derivatives as serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2001-07-17 US claimed
EP-1012166-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-28 EP claimed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP claimed
WO-1999011657-A1 1-AMINO-7-ISOQUINOLINE DERIVATIVES AS SERINE PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO claimed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
US-4843077-A Isoquinoline derivatives having renal vasodilating properties and/or cardiotonic properties and/or phosphodiesterase inhibiting properties ORTHO PHARMACEUTICAL CORPORATION (US) 1989-06-27 US claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-4327103-A 3-{3-[4-(4-Fluorobenzoyl)piperidyl]propyl}-2-methyl indole HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-04-27 US disclosed
EP-0046179-A1 3-(3-(4-(4-Fluorobenzoyl)piperidyl)propyl)-2-methyl indole and pharmaceutical composition containing it HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-24 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 (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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 MCL1 702/4885NPC1 1854/4885RAB9A 1305/4885
US-20020040144-A1 1-amino-7-isoquinoline derivatives as serine protease inhibitors CTRL, HPN, CTSL MCL1 1537/4885NPC1 415/4885RAB9A 3747/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN MCL1 1208/4885NPC1 2130/4885RAB9A 1562/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 MCL1 702/4885NPC1 1854/4885RAB9A 1305/4885

“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.