SCHEMBL519609

SCHEMBL519609

O=CC1CNCCCNC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
CXCR4 P61073 1/20 0.35
SLC6A1 P30531 2/20 0.34
SLC6A11 P48066 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
SLC6A13 Q9NSD5 1/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL18232545 0.88
Hydrochloric Acid SCHEMBL28523655 0.86 SLC6A1 (0.30) SLC6A1SLC6A11SLC6A13
SCHEMBL519386 0.84
SCHEMBL3679491 0.84
SCHEMBL18732892 0.84
Hydrochloric Acid SCHEMBL21056367 0.82 SLC6A1 (0.40) SMN1; SMN2SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL21056366 0.82 SLC6A1 (0.40) SMN1; SMN2SLC6A1SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL21056370 0.82 SLC6A1 (0.40) SMN1; SMN2SLC6A1SLC6A11TSHRLMNA
SCHEMBL519197 0.82
Hydrochloric Acid SCHEMBL5475244 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-10-08 US disclosed
US-10654874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-05-19 US disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
EP-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-29 US disclosed
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-06-14 US disclosed
US-9884875-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-06 US disclosed
EP-2813508-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2018-01-31 EP disclosed
EP-2602254-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-06-14 EP disclosed
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
WO-2011163355-A1 FUSED HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASES (PDES) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 WO disclosed
EP-2393360-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2011-12-14 EP disclosed
US-20110130384-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-02 US disclosed
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
EP-2298731-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
WO-2010090737-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-12 WO disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 US disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed
US-20100041891-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 US disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 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 (9 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-20190263832-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A SMN1; SMN2 2000/4885CXCR4 947/4885SLC6A1 86/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A SMN1; SMN2 2000/4885CXCR4 947/4885SLC6A1 86/4885
US-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 SMN1; SMN2 4195/4885CXCR4 174/4885SLC6A1 844/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 SMN1; SMN2 4263/4885CXCR4 376/4885SLC6A1 1273/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A SMN1; SMN2 2000/4885CXCR4 947/4885SLC6A1 86/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B SMN1; SMN2 3025/4885CXCR4 2799/4885SLC6A1 820/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A SMN1; SMN2 2000/4885CXCR4 947/4885SLC6A1 86/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B SMN1; SMN2 3277/4885CXCR4 2110/4885SLC6A1 693/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 SMN1; SMN2 4839/4885CXCR4 738/4885SLC6A1 3286/4885

“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.