SCHEMBL22693284

SCHEMBL22693284

CC(C)(C)OC(=O)N1CCN(CCC(=O)OCc2ccccc2)C[C@H]1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
TMEM97 Q5BJF2 7/20 0.45
SIGMAR1 Q99720 7/20 0.45
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
SLC6A2 P23975 2/20 0.41
HRH2 P25021 2/20 0.41
HRH1 P35367 2/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR1E P28566 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRM1 P11229 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PDK1 Q15118 1/20 0.41

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
SCHEMBL20133557 0.90 PARP1 (0.49) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL22904459 0.90 PARP1 (0.49) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL20133538 0.90 PARP1 (0.49) PARP1TMEM97SIGMAR1NR1H2NR1H3
SCHEMBL24533397 0.85 ABCB1 (0.54) PARP1SIGMAR1ABCB1
SCHEMBL12780700 0.83 SIGMAR1 (0.52) PARP1SIGMAR1NR1H2NR1H3
SCHEMBL8240100 0.83 SIGMAR1 (0.52) PARP1SIGMAR1NR1H2NR1H3
SCHEMBL2420439 0.82 PARP1 (0.63) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL20129602 0.82 PARP1 (0.63) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL6334954 0.82 PARP1 (0.63) PARP1NR1H2NR1H3PDK1PDK2
SCHEMBL30794088 0.81 PARP1 (0.51) PARP1PDK1PDK2PDK3PDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof NAVITOR PHARMACEUTICALS, INC. (US) 2020-11-24 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-10844013-B2 Phenyl amino piperidine mTORC inhibitors and uses thereof MTOR, RICTOR, RPTOR PARP1 718/4885TMEM97 519/4885SIGMAR1 1261/4885

“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.