SCHEMBL3562722

SCHEMBL3562722

Ic1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
LTA4H P09960 1/20 0.64
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
CA7 P43166 1/20 0.62
CA9 Q16790 1/20 0.62
ALDH1A1 P00352 3/20 0.62
MAPK1 P28482 2/20 0.62
CYP1A2 P05177 1/20 0.62
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62
HTR2A P28223 1/20 0.62
SCN1A P35498 1/20 0.62
HTR2B P41595 1/20 0.62
KCNH2 Q12809 1/20 0.62
SCN2A Q99250 1/20 0.62
SIGMAR1 Q99720 1/20 0.62
SCN3A Q9NY46 1/20 0.62

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
SCHEMBL4653076 0.92 HRH3 (0.74) ALDH1A1MAPK1CYP1A2CHRM2CHRM1
SCHEMBL16314629 0.90 HRH3 (0.68) NPC1RAB9AALDH1A1MAPK1CYP1A2
SCHEMBL14577989 0.86 NPC1 (0.69) NPC1RAB9ALTA4HCA12CA1
SCHEMBL4517043 0.84 PSMB1 (0.67) LTA4HHRH3KDM4E
SCHEMBL25975206 0.84 PSMB1 (0.62) LTA4HHRH3KDM4E
SCHEMBL14084486 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL374497 0.83 LTA4H (0.67) NPC1RAB9ALTA4HCA12CA1
SCHEMBL1958165 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL2014076 0.83 NPC1 (0.66) NPC1RAB9ALTA4HCA12CA1
SCHEMBL19560190 0.83 LTA4H (0.67) NPC1RAB9ALTA4HCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease THE TRUSTEES OF INDIANA UNIVERSITY (US) 2024-01-02 US disclosed
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE UNIV INDIANA TRUSTEES (US) 2022-05-12 US disclosed
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE THE TRUSTEES OF INDIANA UNIVERSITY 2021-01-14 US disclosed
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
EP-2562155-B1 HYDROXAMIC ACID DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2019-06-05 EP disclosed
EP-1732543-B1 TETRACYCLIC CARBOLINE DERATIVES FOR INHIBITING ANGIOGENESIS PTC THERAPEUTICS INC (US) 2017-05-10 EP disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-9499477-B2 Hydroxamic acid derivative TOYAMA CHEMICAL CO., LTD. (JP) 2016-11-22 US disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
EP-1791845-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2007-06-06 EP disclosed
WO-2006130160-A2 FURANOPYRIDINE DERIVATIVES AS ACK1 AND LCK MODULATORS AMGEN INC. (US) 2006-12-07 WO disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP disclosed
US-20060046977-A1 Furanopyridine derivatives and methods of use AMGEN INC. 2006-03-02 US disclosed
EP-1569939-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2005-09-07 EP disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
WO-2004050660-A1 NOVEL HETEROATOM CONTAINING TETRACYCLIC DERIVATIVES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2004-06-17 WO disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US 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 (6 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-20060046977-A1 Furanopyridine derivatives and methods of use LCK, NFATC1, MINK1 NPC1 4177/4885RAB9A 2390/4885LTA4H 899/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR NPC1 3405/4885RAB9A 3931/4885LTA4H 1473/4885
US-11858889-B2 Compound for modulating DDAH and ADMA levels, as well as methods of using thereof to treat disease ADM2, DDAH1, BHMT NPC1 565/4885RAB9A 3164/4885LTA4H 192/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR NPC1 3405/4885RAB9A 3931/4885LTA4H 1473/4885
US-20220144795-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT NPC1 565/4885RAB9A 3164/4885LTA4H 192/4885
US-20210009498-A1 COMPOUND FOR MODULATING DDAH AND ADMA LEVELS, AS WELL AS METHODS OF USING THEREOF TO TREAT DISEASE ADM2, DDAH1, BHMT NPC1 565/4885RAB9A 3164/4885LTA4H 192/4885

“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.