SCHEMBL434161

SCHEMBL434161

NC(=O)c1cccc(C(CN2CCCC2)NC(=O)C2(c3ccc4oc(=O)[nH]c4c3)CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 4/20 0.36
AURKB Q96GD4 6/20 0.34
RPS6KB1 P23443 5/20 0.34
AKT1 P31749 5/20 0.34
INCENP Q9NQS7 4/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRM1 P35372 3/20 0.33
AURKA O14965 2/20 0.33
CDC7 O00311 1/20 0.32
CHEK1 O14757 1/20 0.32
JAK2 O60674 1/20 0.32
PAK4 O96013 1/20 0.32
NTRK1 P04629 1/20 0.32
PRKCB P05771 1/20 0.32
INSR P06213 1/20 0.32
RET P07949 1/20 0.32

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
SCHEMBL434160 1.00 TRPV1 (0.37) TRPV1ROCK2ROCK1AURKBRPS6KB1
SCHEMBL435712 0.90 TRPV1 (0.36) TRPV1ROCK2ROCK1AURKBHTR1A
SCHEMBL435713 0.90 TRPV1 (0.36) TRPV1ROCK2ROCK1AURKBHTR1A
SCHEMBL433021 0.89 TRPV1 (0.37) TRPV1ROCK2ROCK1OPRK1KCNH2
SCHEMBL433022 0.89 TRPV1 (0.37) TRPV1ROCK2ROCK1OPRK1KCNH2
SCHEMBL15385515 0.89 TRPV1 (0.42) TRPV1ROCK2ROCK1AURKBRPS6KB1
SCHEMBL434875 0.89 TRPV1 (0.42) TRPV1ROCK2ROCK1AURKBRPS6KB1
SCHEMBL434660 0.87 ROCK2 (0.45) ROCK2ROCK1SLC6A2OPRK1
SCHEMBL434659 0.87 ROCK2 (0.45) ROCK2ROCK1SLC6A2OPRK1
SCHEMBL433094 0.86 NOS3 (0.41) TRPV1ROCK2ROCK1HTR1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US claimed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
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 TRPV1 16/4885ROCK2 1728/4885ROCK1 1088/4885

“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.