SCHEMBL2918989

SCHEMBL2918989

COC(=O)CC1CCNCCN1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BRD4 O60885 1/20 0.36
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PADI1 Q9ULC6 1/20 0.34
PADI4 Q9UM07 1/20 0.34
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
TSHR P16473 1/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
EPHX1 P07099 1/20 0.32

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
SCHEMBL2915540 0.85 BRD4 (0.37) MEN1KMT2ASMN1; SMN2BRD4LMNA
SCHEMBL2920157 0.84 POLB (0.41) KMT2ASMN1; SMN2TSHR
SCHEMBL2919521 0.81 TSHR (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL2916899 0.80 CHRNB2 (0.35) MEN1KMT2AL3MBTL1CHRNB2CHRNA3
SCHEMBL4088779 0.80 CHRNB2 (0.44) BRD4CHRNB2CHRNA4
SCHEMBL4088784 0.80 CHRNB2 (0.44) BRD4CHRNB2CHRNA4
SCHEMBL24872393 0.78 CYP1A2 (0.44) BRD4CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL21801537 0.78 CHRNB2 (0.43) BRD4CHRNB2CHRNA4
SCHEMBL2914846 0.77 TSHR (0.36) MEN1KMT2ACHRNB2CHRNA3CHRNA4
SCHEMBL2912301 0.76 BRD4 (0.36) MEN1KMT2ASMN1; SMN2BRD4LMNA

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 6 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-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 (2 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 MEN1 4127/4885KMT2A 4370/4885SMN1; SMN2 3778/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MEN1 2886/4885KMT2A 4143/4885SMN1; SMN2 3027/4885

“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.