SCHEMBL2915540

SCHEMBL2915540

COC(=O)CC1CNCCN1C

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.34
ADRB1 P08588 1/20 0.33
KAT7 O95251 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL2912301 0.90 BRD4 (0.36) BRD4KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2918989 0.85 MEN1 (0.39) BRD4KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2917564 0.84 POLB (0.39) KMT2ATSHR
SCHEMBL1176768 0.81 TSHR (0.47) TSHRADRB1KAT7
SCHEMBL24310949 0.81 TSHR (0.47) TSHRADRB1KAT7
SCHEMBL30426265 0.81 KDM4E (0.37) BRD4LMNAL3MBTL1ADRB1KDM4E
SCHEMBL18706103 0.81 LMNA (0.39) KMT2ALMNAL3MBTL1KDM4E
SCHEMBL2917770 0.80 TSHR (0.34) KMT2AMEN1TSHRADRB1KAT7
Hydrochloric Acid SCHEMBL1184612 0.79 TSHR (0.46) TSHRADRB1KAT7
SCHEMBL2919209 0.79 TSHR (0.36) KMT2AL3MBTL1TSHRADRB1KAT7

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 BRD4 848/4885KMT2A 4370/4885MEN1 4127/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 BRD4 500/4885KMT2A 4143/4885MEN1 2886/4885

“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.