SCHEMBL7750033

SCHEMBL7750033

CC(C)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.48
MMP1 P03956 4/20 0.48
MMP2 P08253 4/20 0.48
MMP8 P22894 4/20 0.48
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
NAMPT P43490 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
P2RX7 Q99572 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL13167423 1.00 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL21843955 1.00 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL20131094 1.00 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL14017828 1.00 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL13039794 1.00 MMP9 (0.48) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL20131063 0.84 MMP9 (0.47) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL24946114 0.83 MMP9 (0.43) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL18893525 0.82 MMP9 (0.46) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL18893378 0.82 MMP9 (0.46) MMP9MMP1MMP2MMP8PSEN1
SCHEMBL12380788 0.81 OPRM1 (0.41) MMP9MMP1MMP2MMP8MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2023-03-02 US disclosed
US-11014881-B2 Hepatitis B capsid assembly modulators VenatoRx Pharmaceuticals, Inc. (US) 2021-05-25 US disclosed
US-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2021-05-04 US disclosed
US-10676429-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2020-06-09 US disclosed
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS SPRING MILL PHARMA, INC. 2020-04-23 US disclosed
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
US-20180127361-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B JANSSEN SCIENCES IRELAND UC (IE) 2018-05-10 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 US disclosed
US-7253165-B2 Benzisoxazolyl-, pyridoisoxazolyl-and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMACEUTICALS INC. (US) 2007-08-07 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 US disclosed
EP-0860439-B1 Process for preparing an optically active phenylglycidyl acid derivative DSM NV (NL) 2001-06-13 EP disclosed
US-6025506-A Process for preparing an optically active phenylglycidyl acid derivative DSM N.V. (NL) 2000-02-15 US disclosed
EP-0860439-A1 Process for preparing an optically active phenylglycidyl acid derivative DSM N.V. (NL) 1998-08-26 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 (11 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-10676429-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885
US-20200123105-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP MMP9 4251/4885MMP1 4823/4885MMP2 4063/4885
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A MMP9 4613/4885MMP1 4400/4885MMP2 4540/4885
US-20230062975-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, HDLBP MMP9 4251/4885MMP1 4823/4885MMP2 4063/4885
US-20180127361-A1 SULFAMOYL-ARYLAMIDES AND THE USE THEREOF AS MEDICAMENTS FOR THE TREATMENT OF HEPATITIS B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 MMP9 405/4885MMP1 319/4885MMP2 74/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 MMP9 4506/4885MMP1 4425/4885MMP2 4784/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 MMP9 3577/4885MMP1 2812/4885MMP2 3418/4885
US-11014881-B2 Hepatitis B capsid assembly modulators HAVCR2, COPB1, HDLBP MMP9 4251/4885MMP1 4823/4885MMP2 4063/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 MMP9 1765/4885MMP1 2619/4885MMP2 1726/4885
US-10995064-B2 Sulfamoyl-arylamides and the use thereof as medicaments for the treatment of hepatitis B SULT2A1, HCCS, SULT1A1 MMP9 3479/4885MMP1 4210/4885MMP2 3231/4885

“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.