SCHEMBL939776

SCHEMBL939776

Brc1ccc(N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 4/20 0.52
CYP1A2 P05177 2/20 0.49
MAPT P10636 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SLC6A2 P23975 2/20 0.48
SLC6A4 P31645 2/20 0.48
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
IP6K1 Q92551 1/20 0.46
GRIN2B Q13224 2/20 0.45
DRD2 P14416 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44

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
SCHEMBL7446491 0.87 MBTD1 (0.55) SLC18A3CYP1A2CYP2C9SMN1; SMN2GRIN2B
SCHEMBL20639982 0.83 TSHR (0.47) MAPTCYP2C9CYP2C19MEN1KMT2A
SCHEMBL5546675 0.82 ME3 (0.54) SLC18A3CYP1A2CYP2C9MEN1KMT2A
SCHEMBL241159 0.82 DHFR (0.50) SLC18A3MAPTMEN1NPC1RAB9A
SCHEMBL31612521 0.82 MEN1 (0.61) SLC18A3CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL8363020 0.82 LMNA (0.49) SLC18A3MAPTHPGDSMN1; SMN2IP6K1
SCHEMBL6132832 0.81 SIGMAR1 (0.63) SLC18A3HPGDKMT2ASMN1; SMN2IP6K1
SCHEMBL5919209 0.80 SLC18A3 (0.47) SLC18A3CYP1A2CYP2C9MEN1KMT2A
Hydrochloric Acid SCHEMBL6132971 0.79 SIGMAR1 (0.61) SLC18A3HPGDKMT2ASMN1; SMN2IP6K1
SCHEMBL20639922 0.79 KDM4E (0.49) CYP2C9CYP2C19MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
EP-3515912-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES Centre National De La Recherche Scientifique (FR) 2019-07-31 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 WO disclosed
US-9822092-B2 ArylSulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2017-11-21 US disclosed
US-8975439-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2015-03-10 US disclosed
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2015-02-12 US disclosed
EP-2268612-B1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2014-08-20 EP disclosed
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2013-04-18 US disclosed
US-8362063-B2 Arylsulfonamide based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors NOVARTIS AG (CH) 2012-10-11 US disclosed
US-8222424-B2 Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP disclosed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 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 (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-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 SLC18A3 4145/4885CYP1A2 123/4885MAPT 3196/4885
US-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT SLC18A3 18/4885CYP1A2 3031/4885MAPT 3/4885
US-20150045398-A1 ArylSulfonamide-Based Matrix Metalloprotease Inhibitors MMP11, MMP10, MMP9 SLC18A3 4145/4885CYP1A2 123/4885MAPT 3196/4885
US-20120258954-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 SLC18A3 4222/4885CYP1A2 124/4885MAPT 3177/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT SLC18A3 18/4885CYP1A2 3671/4885MAPT 3/4885
US-20130096105-A1 ArylSulfonamide Based Matrix Metalloprotease Inhibitors MMP11, MMP9, MMP10 SLC18A3 4222/4885CYP1A2 124/4885MAPT 3177/4885

“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.