SCHEMBL434121

SCHEMBL434121

O=C(N[C@H](CN1CCC(O)C1)C1CCCCC1)C1(c2ccc3oc(=O)[nH]c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
MCHR2 Q969V1 1/20 0.37
MCHR1 Q99705 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
CDC7 O00311 3/20 0.34
PIM1 P11309 2/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
CSNK2A1 P68400 2/20 0.34
PIM3 Q86V86 2/20 0.34
PIM2 Q9P1W9 2/20 0.34
CYP1A2 P05177 1/20 0.34
ENPP2 Q13822 2/20 0.34
HTR7 P34969 1/20 0.33
OPRK1 P41145 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
CTSC P53634 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
TERT O14746 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
SCHEMBL434120 1.00 KCNH2 (0.37) KCNH2MCHR2MCHR1TRPV1CDC7
SCHEMBL10084067 0.92 TRPV1 (0.41) KCNH2MCHR2MCHR1TRPV1PIM1
SCHEMBL15380860 0.92 TRPV1 (0.41) KCNH2MCHR2MCHR1TRPV1PIM1
SCHEMBL15380154 0.86 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL15380158 0.86 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL10083332 0.86 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL15380879 0.85 TRPV1 (0.39) KCNH2MCHR2MCHR1TRPV1ENPP2
SCHEMBL16412433 0.84 KCNH2 (0.41) KCNH2MCHR2MCHR1TRPV1CDC7
SCHEMBL20554849 0.84 KCNH2 (0.41) KCNH2MCHR2MCHR1TRPV1CDC7
SCHEMBL16412430 0.84 KCNH2 (0.41) KCNH2MCHR2MCHR1TRPV1CDC7

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 KCNH2 287/4885MCHR2 114/4885MCHR1 76/4885

“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.