SCHEMBL433022

SCHEMBL433022

O=C(NC(CN1CCCC1)c1cccc(O)c1)C1(c2ccc3oc(=O)[nH]c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.37
OPRK1 P41145 1/20 0.35
ROCK2 O75116 3/20 0.34
ROCK1 Q13464 3/20 0.34
KCNK3 O14649 1/20 0.32
GRIN2B Q13224 1/20 0.32
KCNH2 Q12809 2/20 0.32
MCHR2 Q969V1 1/20 0.32
MCHR1 Q99705 1/20 0.32
CYP3A4 P08684 2/20 0.31
CALCRL Q16602 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ENPP2 Q13822 2/20 0.31
ATXN2 Q99700 2/20 0.31
CYP2D6 P10635 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
SCHEMBL433021 1.00 TRPV1 (0.37) TRPV1OPRK1ROCK2ROCK1KCNK3
SCHEMBL15385515 0.91 TRPV1 (0.42) TRPV1ROCK2ROCK1KCNK3GRIN2B
SCHEMBL434875 0.91 TRPV1 (0.42) TRPV1ROCK2ROCK1KCNK3GRIN2B
SCHEMBL435712 0.91 TRPV1 (0.36) TRPV1OPRK1ROCK2ROCK1GRIN2B
SCHEMBL435713 0.91 TRPV1 (0.36) TRPV1OPRK1ROCK2ROCK1GRIN2B
SCHEMBL434160 0.89 TRPV1 (0.37) TRPV1OPRK1ROCK2ROCK1KCNH2
SCHEMBL434161 0.89 TRPV1 (0.37) TRPV1OPRK1ROCK2ROCK1KCNH2
SCHEMBL434659 0.89 ROCK2 (0.45) OPRK1ROCK2ROCK1
SCHEMBL434660 0.89 ROCK2 (0.45) OPRK1ROCK2ROCK1
SCHEMBL463462 0.89 OPRK1 (0.36) OPRK1GRIN2BKCNH2MCHR2MCHR1

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 5 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
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 16/4885OPRK1 1/4885ROCK2 1728/4885

“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.