SCHEMBL518593

SCHEMBL518593

O=[C]N1CCCNCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
MEN1 O00255 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CCR2 P41597 1/20 0.33
CXCL12 P48061 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNA7 P36544 1/20 0.32
CA2 P00918 1/20 0.31
CHKA P35790 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL223602 0.95
SCHEMBL519408 0.87 CA2 (0.37) CXCR4SMN1; SMN2ALDH1A1CHRNB2CHRNA4
SCHEMBL8466 0.82
SCHEMBL8728 0.78
SCHEMBL7597 0.78
SCHEMBL3544433 0.76 CTSL (0.42) ALDH1A1MEN1KMT2ACA2
SCHEMBL3542998 0.76 CTSL (0.42) ALDH1A1MEN1KMT2ACA2
SCHEMBL348908 0.76
SCHEMBL518260 0.76 CTSL (0.42) ALDH1A1MEN1KMT2ACA2
SCHEMBL2637 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-07-02 US disclosed
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-09-28 US disclosed
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-24 US disclosed
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-23 US disclosed
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-2603513-B1 HETEROCYCLIC COMPOUND AND USE THEREOF AS AMPA RECEPTOR POSITIVE ALLOSTERIC MODULATOR TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF 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-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-29 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-29 US 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-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
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 (15 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 CXCR4 947/4885SMN1; SMN2 2000/4885ALDH1A1 177/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CXCR4 947/4885SMN1; SMN2 2000/4885ALDH1A1 177/4885
US-20110130384-A1 AMIDE COMPOUND GPR52, CNR2, ARRB1 CXCR4 174/4885SMN1; SMN2 4195/4885ALDH1A1 2242/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 CXCR4 376/4885SMN1; SMN2 4263/4885ALDH1A1 2005/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CXCR4 947/4885SMN1; SMN2 2000/4885ALDH1A1 177/4885
US-20110319394-A1 FUSED HETEROCYCLIC COMPOUNDS PDE5A, PDE2A, PDE3A CXCR4 982/4885SMN1; SMN2 2125/4885ALDH1A1 135/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A CXCR4 947/4885SMN1; SMN2 2000/4885ALDH1A1 177/4885
US-12024505-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 CXCR4 648/4885SMN1; SMN2 2791/4885ALDH1A1 1030/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CXCR4 2058/4885SMN1; SMN2 3388/4885ALDH1A1 350/4885
US-20230303541-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 CXCR4 648/4885SMN1; SMN2 2791/4885ALDH1A1 1030/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CXCR4 2110/4885SMN1; SMN2 3277/4885ALDH1A1 334/4885
US-20210292308-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF ACETYLCHOLINE RECEPTORS CHRM3, CHRNA1, CHRM5 CXCR4 714/4885SMN1; SMN2 2727/4885ALDH1A1 977/4885
US-11560372-B2 Heterocyclic compounds useful as modulators of acetylcholine receptors CHRM3, CHRNA1, CHRM5 CXCR4 714/4885SMN1; SMN2 2727/4885ALDH1A1 977/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 CXCR4 738/4885SMN1; SMN2 4839/4885ALDH1A1 1181/4885
US-20120077799-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CXCR4 947/4885SMN1; SMN2 2000/4885ALDH1A1 177/4885

“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.