SCHEMBL3544345

SCHEMBL3544345

COC(=O)C1(CNC2CCCC2)CCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 3/20 0.38
EPHX1 P07099 2/20 0.37
CYP2C19 P33261 2/20 0.37
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL1203411 0.97 MAPT (0.43) MAPTCYP4F2CYP4A11NPSR1NPC1
SCHEMBL1202865 0.95 MAPT (0.44) MAPTCYP4F2CYP4A11NPSR1NPC1
SCHEMBL13611665 0.93 MAPT (0.46) MAPTCYP4F2CYP4A11NPSR1NPC1
SCHEMBL3985862 0.82 L3MBTL1 (0.41) MAPTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL1203494 0.80 L3MBTL1 (0.42) MAPTSMN1; SMN2LMNAKDM4EHPGD
SCHEMBL3540365 0.79 L3MBTL1 (0.44) MAPTNPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL3991203 0.77 CYP2C19 (0.39) MAPTNPC1RAB9ASMN1; SMN2EPHX2
SCHEMBL2546146 0.74 CYP4F2 (0.36) MAPTCYP4F2CYP4A11EPHX2
SCHEMBL2546148 0.74 CYP4F2 (0.36) MAPTCYP4F2CYP4A11EPHX2
SCHEMBL10086984 0.73 CYP4F2 (0.50) MAPTCYP4F2CYP4A11NPSR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US 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 (1 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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 MAPT 2200/4885CYP4F2 35/4885CYP4A11 11/4885

“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.