SCHEMBL459795

SCHEMBL459795

O=C(N[C@H](CN1CCCC1)c1ccccc1)C1(c2cccc(CS(=O)(=O)O)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.39
CYP2D6 P10635 5/20 0.39
OPRM1 P35372 3/20 0.39
OPRD1 P41143 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MITF O75030 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
PAX8 Q06710 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR88 Q9GZN0 1/20 0.37
MEN1 O00255 1/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL15380374 1.00 OPRK1 (0.39) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL460427 0.90 RAB9A (0.42) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL15380865 0.90 RAB9A (0.42) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL15380395 0.87 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL433098 0.87 OPRK1 (0.55) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
SCHEMBL435831 0.85 HSD11B1 (0.50) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL15385492 0.85 HSD11B1 (0.50) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL10083301 0.85 KMT2A (0.41) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL10083283 0.84 KCNK3 (0.42) OPRK1CYP2D6OPRM1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL15380695 0.84 HSD11B1 (0.49) OPRK1OPRM1OPRD1ALDH1A1MITF

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-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 OPRK1 1/4885CYP2D6 697/4885OPRM1 4/4885

“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.