SCHEMBL2696809

SCHEMBL2696809

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)N(Cc1ccc(CO)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
GPR119 Q8TDV5 5/20 0.46
TP53 P04637 1/20 0.45
RORC P51449 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
VEGFA P15692 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
PARP1 P09874 2/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
NAMPT P43490 3/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CYP11B2 P19099 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
SCHEMBL2340026 0.90 HDAC1 (0.48) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL12447685 0.90 OPRD1 (0.51) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL22770534 0.89 ALDH1A1 (0.46) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL2694180 0.89 HDAC1 (0.45) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL21753298 0.88 GPR119 (0.54) GPR119
SCHEMBL2695429 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6TP53NAMPT
SCHEMBL31096198 0.83 RORC (0.53) HDAC1HDAC8HDAC6GPR119RORC
SCHEMBL10111390 0.82 USP2 (0.41) HDAC1HDAC8HDAC6GPR119NAMPT
SCHEMBL16862352 0.82 OPRD1 (0.52) HDAC1HDAC8HDAC6GPR119TP53
SCHEMBL30328634 0.81 HDAC1 (0.40) HDAC1HDAC8HDAC6GPR119RORC

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
US-8519124-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
EP-1961744-B1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2013-04-17 EP disclosed
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-08-16 US disclosed
US-8168783-B2 Chemokine receptor antagonists and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2012-05-01 US disclosed
US-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD., (JP) 2009-07-02 US disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 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-20090169567-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF CXCR4, CXCL12, CXCR3 HDAC1 1599/4885HDAC8 3188/4885HDAC6 1919/4885
US-20120207765-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND USE THEREOF CXCR4, CXCR3, CXCR1 HDAC1 2322/4885HDAC8 3446/4885HDAC6 2319/4885

“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.