SCHEMBL6912757

SCHEMBL6912757

CC1CN(Cc2ccc(C#N)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.47
MAP4K4 O95819 1/20 0.42
CHRM4 P08173 3/20 0.41
CACNA1H O95180 2/20 0.41
GPR6 P46095 2/20 0.40
AR P10275 1/20 0.40
CACNA1G O43497 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
HDAC1 Q13547 1/20 0.39
RET P07949 3/20 0.38

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
SCHEMBL2229179 0.85 CHRM4 (0.45) CHRM4GPR6
SCHEMBL30529023 0.85 CCR1 (0.45) GPR119MAP4K4HDAC1
SCHEMBL28388289 0.85 CCR1 (0.45) GPR119MAP4K4HDAC1
SCHEMBL28388288 0.85 CCR1 (0.45) GPR119MAP4K4HDAC1
SCHEMBL16627301 0.84 GPR119 (0.50) GPR119CHRM4AR
SCHEMBL377605 0.83 GPR119 (0.43) GPR119MAP4K4HDAC1
SCHEMBL26128841 0.81 MAP4K4 (0.58) GPR119MAP4K4CHRM4HDAC1
SCHEMBL30286355 0.81 MAP4K4 (0.58) GPR119MAP4K4CHRM4HDAC1
SCHEMBL30546539 0.81 MAP4K4 (0.58) GPR119MAP4K4CHRM4HDAC1
SCHEMBL26125207 0.81 MAP4K4 (0.58) GPR119MAP4K4CHRM4HDAC1

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 7 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 disclosed
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
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
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

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 GPR119 1966/4885MAP4K4 4069/4885CHRM4 717/4885

“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.