SCHEMBL2915849

SCHEMBL2915849

CNC(=O)N1CCC[N]CC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
KMT2A Q03164 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 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
SCHEMBL5150 0.92 POLB (0.68) POLBKMT2AHTTSMN1; SMN2PKM
SCHEMBL2911706 0.84 POLB (0.52) POLB
SCHEMBL967287 0.80
SCHEMBL16051304 0.80
Water SCHEMBL7299559 0.78 POLB (0.75) POLBKMT2AHTTSMN1; SMN2NPC1
SCHEMBL761977 0.78 POLB (0.75) POLBKMT2AHTTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL16740987 0.78 POLB (0.75) POLBKMT2AHTTSMN1; SMN2NPC1
SCHEMBL13078788 0.78 POLB (0.75) POLBKMT2AHTTSMN1; SMN2NPC1
SCHEMBL714789 0.77 CYP1A2 (0.44) KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL2092626 0.76 CYP2C9 (0.41) KMT2ASMN1; SMN2MEN1PKMALDH1A1

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 POLB 4125/4885KMT2A 3245/4885HTT 3347/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 POLB 4340/4885KMT2A 3446/4885HTT 3365/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 POLB 3329/4885KMT2A 4370/4885HTT 2730/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 POLB 4199/4885KMT2A 1719/4885HTT 3417/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 POLB 3819/4885KMT2A 4143/4885HTT 2548/4885

“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.