SCHEMBL30534239

SCHEMBL30534239

CC(C)C1CN(c2nccnn2)CCN1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
HTT P42858 1/20 0.41
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 1/20 0.41
NMT1 P30419 1/20 0.38
HDAC1 Q13547 1/20 0.38
SPAST Q9UBP0 1/20 0.37
SCD O00767 5/20 0.37
ZAP70 P43403 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
GLS O94925 2/20 0.33

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
SCHEMBL22658660 1.00 ROCK2 (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL30534249 1.00 ROCK2 (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL29465145 1.00 ROCK2 (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL22658659 1.00 ROCK2 (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL19035699 0.85 PRKCQ (0.49) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL30534242 0.82 ROCK2 (0.42) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL22658607 0.78 HTT (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL22658606 0.78 HTT (0.46) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL82195 0.77 HTT (0.49) ROCK2ROCK1HTTPRKCQPRKCD
SCHEMBL4779990 0.76 PRKCQ (0.53) ROCK2ROCK1PRKCQPRKCDNMT1

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-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2023-07-27 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 (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-20230234942-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, CLN6 ROCK2 3864/4885ROCK1 3949/4885HTT 1/4885

“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.