SCHEMBL459836

SCHEMBL459836

O=C(NC(CN1CCCC1)c1ccccc1)C1(c2ccc3[nH]c(=O)ccc3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
TRPV1 Q8NER1 2/20 0.37
KCNH2 Q12809 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
LMNA P02545 1/20 0.36
AURKA O14965 3/20 0.35
AURKB Q96GD4 2/20 0.35
CDC7 O00311 1/20 0.35
CHEK1 O14757 1/20 0.35
JAK2 O60674 1/20 0.35
PAK4 O96013 1/20 0.35
NTRK1 P04629 1/20 0.35
PRKCB P05771 1/20 0.35
INSR P06213 1/20 0.35
RET P07949 1/20 0.35
KIT P10721 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
FLT4 P35916 1/20 0.35

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
SCHEMBL459835 1.00 ROCK2 (0.39) ROCK2ROCK1TRPV1KCNH2GPR88
SCHEMBL15385522 0.94 TRPV1 (0.40) ROCK2ROCK1TRPV1GPR88AURKA
SCHEMBL433687 0.94 TRPV1 (0.40) ROCK2ROCK1TRPV1GPR88AURKA
SCHEMBL10083028 0.87 ROCK2 (0.40) ROCK2ROCK1GPR88AURKAAURKB
SCHEMBL459306 0.87 ROCK2 (0.40) ROCK2ROCK1GPR88AURKAAURKB
SCHEMBL461061 0.84 ROCK2 (0.53) ROCK2ROCK1TRPV1
SCHEMBL461060 0.84 ROCK2 (0.53) ROCK2ROCK1TRPV1
SCHEMBL15385515 0.82 TRPV1 (0.42) ROCK2ROCK1TRPV1GPR88AURKA
SCHEMBL434875 0.82 TRPV1 (0.42) ROCK2ROCK1TRPV1GPR88AURKA
SCHEMBL435831 0.81 HSD11B1 (0.50) GPR88MITFALDH1A1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 ROCK2 1728/4885ROCK1 1088/4885TRPV1 16/4885

“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.