SCHEMBL2226039

SCHEMBL2226039

CC1(C)CN(c2ccc(C#N)cn2)CCN1C(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.44
HDAC6 Q9UBN7 11/20 0.42
HDAC8 Q9BY41 8/20 0.42
TIPARP Q7Z3E1 3/20 0.40
HDAC4 P56524 5/20 0.40
CNR2 P34972 1/20 0.40
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HDAC1 Q13547 3/20 0.38
SLC6A7 Q99884 1/20 0.38
HDAC2 Q92769 1/20 0.38
GRM5 P41594 1/20 0.37
FASN P49327 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
SCHEMBL13838133 0.89 CHRM1 (0.45) CHRM1CNR2SLC6A7GRM5FASN
SCHEMBL2226665 0.86 HDAC4 (0.52) HDAC6HDAC8TIPARPHDAC4CNR2
SCHEMBL2224355 0.85 HDAC6 (0.44) HDAC6HDAC8TIPARPHDAC4HDAC7
SCHEMBL2225124 0.85 HDAC6 (0.50) HDAC6HDAC8TIPARPHDAC4CNR2
SCHEMBL2225828 0.85 PARP1 (0.45) CHRM1HDAC6HDAC8TIPARPHDAC1
SCHEMBL2225164 0.82 PDK1 (0.44) CHRM1HDAC6HDAC8TIPARPHDAC4
SCHEMBL2224823 0.81 GRM5 (0.42) HDAC6HDAC8TIPARPHDAC4HDAC1
SCHEMBL2227438 0.80 GRM5 (0.41) HDAC6HDAC8TIPARPHDAC4CNR2
SCHEMBL2224359 0.79 PDK1 (0.49) CHRM1HDAC6HDAC8TIPARPHDAC4
SCHEMBL2226710 0.79 HDAC6 (0.48) CHRM1HDAC6HDAC8TIPARPHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US claimed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO claimed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US claimed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
US-8981084-B2 Oxadiazole HDAC inhibitors TEMPERO PHARMACEUTICALS, INC. (US) 2015-03-17 US disclosed
WO-2013009827-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-17 WO disclosed
EP-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
US-20120289495-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals Inc. 2012-11-15 US disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 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 (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-20120289495-A1 COMPOUNDS AND METHODS XDH, CCNY, TOP2B CHRM1 459/4885HDAC6 1763/4885HDAC8 2959/4885

“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.