SCHEMBL1106475

SCHEMBL1106475

COc1cccn(C(C)C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
OPRK1 P41145 3/20 0.40
OPRM1 P35372 2/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA4 P22748 1/20 0.39
MGLL Q99685 1/20 0.38
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
DUSP3 P51452 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL14706627 0.84 OPRK1 (0.40) HDAC4HDAC8OPRK1OPRM1CA12
SCHEMBL13544361 0.81 KMT2A (0.46) OPRK1OPRM1CA12CA1CA2
SCHEMBL27250319 0.80 PTGS2 (0.40) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL27446325 0.79 KCNK3 (0.37) OPRK1OPRM1MAPTKDM4EALDH1A1
SCHEMBL19892550 0.76 OPRK1 (0.38) OPRK1OPRM1CA12CA1CA2
SCHEMBL7257323 0.74 MAPT (0.36) HDAC4HDAC8OPRK1OPRM1MAPT
SCHEMBL1106452 0.74 PTGS2 (0.39) CA2MGLLMAPTKDM4EALDH1A1
SCHEMBL1156104 0.74 MAPT (0.50) CA12CA1CA2CA7CA9
SCHEMBL214474 0.73 OPRK1 (0.41) OPRK1OPRM1MAPTALDH1A1TDP1
SCHEMBL9453847 0.72 PTGS2 (0.41) HDAC4HDAC8CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 US disclosed
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-04 US disclosed
WO-2024126773-A1 IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-06-20 WO disclosed
WO-2024062089-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
WO-2024062090-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-03-28 WO disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (4 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885HDAC8 933/4885OPRK1 2530/4885
US-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HDAC4 2210/4885HDAC8 1456/4885OPRK1 4125/4885
US-20240217951-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HDAC4 2042/4885HDAC8 1466/4885OPRK1 4123/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885HDAC8 933/4885OPRK1 2530/4885

“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.