SCHEMBL4099786

SCHEMBL4099786

COC(=O)C1CCN(c2nc(Cl)c(I)cc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.44
MAPT P10636 5/20 0.44
MALT1 Q9UDY8 4/20 0.43
NEK2 P51955 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5266062 0.91 MEN1 (0.53) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL5316277 0.82 LMNA (0.40) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4098272 0.79 SMN1; SMN2 (0.63) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL30896975 0.75 SMN1; SMN2 (0.52) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4104705 0.74 P2RY12 (0.49) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4098795 0.74 LMNA (0.41) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL901378 0.73 LMNA (0.66) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2425939 0.73 MALT1 (0.64) MEN1KMT2ASMN1; SMN2KDM4EMALT1
SCHEMBL30547494 0.71 KDM4E (0.51) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL16449195 0.71 KDM4E (0.51) LMNAMEN1KMT2ASMN1; SMN2KDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 LMNA 1527/4885MEN1 2888/4885KMT2A 4642/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 LMNA 1598/4885MEN1 2007/4885KMT2A 4406/4885

“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.