SCHEMBL2916899

SCHEMBL2916899

CN1CCNCCC1CC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRNB3 Q05901 1/20 0.35
CHRNA6 Q15825 1/20 0.35
TSHR P16473 2/20 0.35
ANPEP P15144 2/20 0.32
ERAP2 Q6P179 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 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
SCHEMBL2919521 0.84 TSHR (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2919209 0.84 TSHR (0.36) TSHRKMT2AL3MBTL1GABRA1GABRA5
SCHEMBL2914846 0.80 TSHR (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2918989 0.80 MEN1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1033553 0.78 CHRNB2 (0.43) CHRNB2CHRNA4
SCHEMBL2920157 0.78 POLB (0.41) TSHRKMT2AGABRA1GABRG2GABRB3
SCHEMBL2916321 0.77 GNAO1 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL15807936 0.77 CYP1A2 (0.47) CHRNB2CHRNA4L3MBTL1
SCHEMBL22388832 0.77 CYP1A2 (0.47) CHRNB2CHRNA4L3MBTL1
Hydrochloric Acid SCHEMBL2673741 0.77 CHRNB2 (0.42) CHRNB2CHRNA4

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 CHRNB2 3983/4885CHRNA3 3311/4885CHRNA4 4151/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CHRNB2 4294/4885CHRNA3 3663/4885CHRNA4 4358/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 CHRNB2 4772/4885CHRNA3 4355/4885CHRNA4 4743/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 CHRNB2 2997/4885CHRNA3 2021/4885CHRNA4 3227/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 CHRNB2 4872/4885CHRNA3 4851/4885CHRNA4 4864/4885

“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.