SCHEMBL2914846

SCHEMBL2914846

CN(C)C(=O)CC1CCNCCN1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
GLI1 P08151 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
DPP4 P27487 2/20 0.32
SIGMAR1 Q99720 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 0.30

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
SCHEMBL2920301 0.85 TSHR (0.37) TSHRDPP4
SCHEMBL2919521 0.81 TSHR (0.46) TSHRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2916899 0.80 CHRNB2 (0.35) TSHRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL5015466 0.80 CHRNB2 (0.41) CHRNB2CHRNA4DPP4
SCHEMBL2920157 0.78 POLB (0.41) TSHRKMT2A
SCHEMBL2918989 0.77 MEN1 (0.39) TSHRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2911065 0.76 DPP4 (0.33) TSHRDPP4SIGMAR1
SCHEMBL2914844 0.75 MAPT (0.30)
SCHEMBL2916321 0.75 GNAO1 (0.33) TSHRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL2921511 0.74 GNAI3 (0.31) GNAI3GNAO1GNAI1

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 TSHR 2787/4885GLI1 477/4885CHRNB2 3983/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 TSHR 4178/4885GLI1 1519/4885CHRNB2 4294/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 TSHR 4631/4885GLI1 1146/4885CHRNB2 4772/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 TSHR 2789/4885GLI1 2064/4885CHRNB2 2997/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 TSHR 4671/4885GLI1 690/4885CHRNB2 4872/4885

“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.