SCHEMBL21135328

SCHEMBL21135328

CC(C)NCC1CCC(CC(N)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
DGAT1 O75907 2/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
SAT1 P21673 1/20 0.32
HSD11B1 P28845 1/20 0.32
CTSD P07339 1/20 0.32
SOAT1 P35610 1/20 0.32
ANPEP P15144 1/20 0.32
ENPEP Q07075 1/20 0.32
EPHX1 P07099 3/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL19380404 0.84 ALOX5 (0.33) TDP1TSHRCYP2D6CTSDEPHX1
SCHEMBL13999457 0.81 TDP1 (0.44) TDP1PARP1SIGMAR1EPHX1KMT2A
SCHEMBL13999460 0.81 TDP1 (0.70) TDP1PARP1SIGMAR1TSHRCYP2D6
SCHEMBL21706786 0.80 BRD4 (0.39) TDP1SIGMAR1TSHRSAT1KMT2A
SCHEMBL104225 0.79
SCHEMBL17369631 0.79 SIGMAR1 (0.45) TDP1SIGMAR1SAT1KMT2A
SCHEMBL13884246 0.79 SIGMAR1 (0.45) TDP1SIGMAR1SAT1KMT2A
SCHEMBL17592586 0.79 SAT1 (0.48) TDP1DGAT1CYP2D6SAT1HSD11B1
SCHEMBL17592585 0.79 SAT1 (0.48) TDP1DGAT1CYP2D6SAT1HSD11B1
Hydrochloric Acid SCHEMBL21879609 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736892-B2 Stem cell modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2020-08-11 US disclosed
US-20190192509-A1 Stem Cell Modulation II EpiAxis Therapeutics Pty Ltd. (AU) 2019-06-27 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 (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-10736892-B2 Stem cell modulation II PRKCQ, PRKCI, PRKCG TDP1 1394/4885PARP1 1965/4885SIGMAR1 2485/4885
US-20190192509-A1 Stem Cell Modulation II PRKCQ, PRKCI, PRKCG TDP1 1394/4885PARP1 1965/4885SIGMAR1 2485/4885

“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.