SCHEMBL15380879

SCHEMBL15380879

O=C(NC(CN1CCCC1)C1CCOCC1)C1(c2ccc3oc(=O)[nH]c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.39
KCNH2 Q12809 1/20 0.34
MCHR2 Q969V1 1/20 0.34
MCHR1 Q99705 1/20 0.34
PIK3CA P42336 1/20 0.33
CTSC P53634 1/20 0.33
HDAC4 P56524 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
HTR7 P34969 1/20 0.32
ALDH1A1 P00352 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
ATXN2 Q99700 1/20 0.32
MTOR P42345 1/20 0.32
ENPP2 Q13822 2/20 0.31
IDO1 P14902 1/20 0.31
CYP3A4 P08684 1/20 0.31
CALCRL Q16602 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
SCHEMBL10084067 0.93 TRPV1 (0.41) TRPV1KCNH2MCHR2MCHR1PIK3CA
SCHEMBL15380860 0.93 TRPV1 (0.41) TRPV1KCNH2MCHR2MCHR1PIK3CA
SCHEMBL434120 0.85 KCNH2 (0.37) TRPV1KCNH2MCHR2MCHR1CTSC
SCHEMBL434121 0.85 KCNH2 (0.37) TRPV1KCNH2MCHR2MCHR1CTSC
SCHEMBL434855 0.81 TRPA1 (0.38) TRPV1KCNH2MCHR2MCHR1PIK3CA
SCHEMBL15385515 0.80 TRPV1 (0.42) TRPV1SMYD3ALDH1A1ATXN2ENPP2
SCHEMBL434875 0.80 TRPV1 (0.42) TRPV1SMYD3ALDH1A1ATXN2ENPP2
SCHEMBL433022 0.78 TRPV1 (0.37) TRPV1KCNH2MCHR2MCHR1OPRK1
SCHEMBL433021 0.78 TRPV1 (0.37) TRPV1KCNH2MCHR2MCHR1OPRK1
SCHEMBL10083344 0.78 TRPV1 (0.38) TRPV1KCNH2MCHR2MCHR1ALDH1A1

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 8 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-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
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
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 TRPV1 16/4885KCNH2 287/4885MCHR2 114/4885

“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.