SCHEMBL2914574

SCHEMBL2914574

CN(C)C(=O)CC1CNCCNC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRB2 P47870 2/20 0.44
SLC6A12 P48065 2/20 0.44
SLC6A11 P48066 2/20 0.44
SLC6A13 Q9NSD5 2/20 0.44
GABRA1 P14867 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRA4 P48169 1/20 0.44
DPP4 P27487 1/20 0.36
USP30 Q70CQ3 1/20 0.35
GAA P10253 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EPHX1 P07099 1/20 0.31
CPN1 P15169 1/20 0.31
CPB2 Q96IY4 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
SCHEMBL18505910 0.91 SLC6A1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL34474601 0.88 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL3561216 0.88 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL31209045 0.88 SLC6A1 (0.60) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL26106582 0.86 SLC6A1 (0.58) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9731779 0.85 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2914571 0.81 SLC6A1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2918790 0.81 SLC6A1 (0.40) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL9732660 0.79 GABRA5 (0.44) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2910911 0.79 SLC6A1 (0.32) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (5 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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R SLC6A1 1557/4885GABRA5 773/4885GABRB2 1040/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 SLC6A1 1800/4885GABRA5 2076/4885GABRB2 2102/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 SLC6A1 1251/4885GABRA5 2263/4885GABRB2 2357/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 SLC6A1 872/4885GABRA5 1555/4885GABRB2 1970/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 SLC6A1 1341/4885GABRA5 1691/4885GABRB2 3006/4885

“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.