SCHEMBL519071

SCHEMBL519071

O=CC1CCCCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
EPHX1 P07099 1/20 0.33
GABRA1 P14867 2/20 0.31
TSHR P16473 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31
PMP22 Q01453 1/20 0.31
GABRG1 Q8N1C3 1/20 0.31
GABRG3 Q99928 1/20 0.31
GABRQ Q9UN88 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
SCHEMBL28317188 0.98 ALDH1A1 (0.41) ALDH1A1EPHX1GABRA1TSHRGABRG2
Piperidine SCHEMBL971397 0.93 ALDH1A1 (0.45) ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL28299176 0.93 ALDH1A1 (0.45) ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL519261 0.93
SCHEMBL28317190 0.93 ALDH1A1 (0.45) ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL26870681 0.93 ALDH1A1 (0.45) ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL28318269 0.91 ALDH1A1 (0.43) ALDH1A1EPHX1TSHRCXCR4SMN1; SMN2
SCHEMBL28052778 0.91
Hydrochloric Acid SCHEMBL28791219 0.91 TSHR (0.31) ALDH1A1GABRA1TSHRGABRG2GABRB3
SCHEMBL28318201 0.87 SMN1; SMN2 (0.35) ALDH1A1TSHRCXCR4SMN1; SMN2LMNA

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 93 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-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
CN-110099869-A Thermally responsive solution and method of use thereof 阿克福特斯技术有限公司 2019-08-06 CN 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
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
CN-101400352-A Compositions and methods for the treatment and prevention of disease IMMUPHARMA FRANCE SA (FR) 2009-04-01 CN disclosed
CN-101395143-A Aza heterocyclics for the treatment of malaria or aids IMMUPHARMA FRANCE SA (FR) 2009-03-25 CN disclosed
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer TAKADA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-11-01 US disclosed
EP-1761539-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER Takeda Pharmaceutical Company Limited (JP) 2007-03-14 EP disclosed
WO-2005118587-A1 INDOLE DERIVATIVE AND USE FOR TREATMENT OF CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 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 (7 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 ALDH1A1 177/4885EPHX1 608/4885GABRA1 34/4885
US-20200317692-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885EPHX1 608/4885GABRA1 34/4885
US-20100041891-A1 AMIDE COMPOUND GPR52, GPR132, NR5A2 ALDH1A1 2005/4885EPHX1 3904/4885GABRA1 168/4885
US-20180162875-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885EPHX1 608/4885GABRA1 34/4885
US-10654874-B2 Heterocyclic compound and use thereof GRIN1, GRIN2C, GRIN2A ALDH1A1 177/4885EPHX1 608/4885GABRA1 34/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B ALDH1A1 334/4885EPHX1 1953/4885GABRA1 867/4885
US-20070254877-A1 Indole Derivative and Use for Treatment of Cancer IGF1R, KDR, ERBB2 ALDH1A1 1181/4885EPHX1 1950/4885GABRA1 3180/4885

“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.