SCHEMBL459729

SCHEMBL459729

CS(=O)(=O)Oc1cccc(C2(C(=O)N[C@H](CN3CCCC3)c3ccccc3)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.41
FAAH O00519 1/20 0.40
OPRK1 P41145 4/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
NPC1 O15118 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
CYP2D6 P10635 1/20 0.38
ATM Q13315 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
UGCG Q16739 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
SCHEMBL15380900 1.00 GPR88 (0.41) GPR88FAAHOPRK1ROCK2ROCK1
SCHEMBL10083021 0.90 GPR88 (0.45) GPR88OPRK1ROCK2ROCK1NPC1
Hydrochloric Acid SCHEMBL15380750 0.89 GPR88 (0.44) GPR88OPRK1ROCK2ROCK1NPC1
Hydrochloric Acid SCHEMBL432960 0.89 GPR88 (0.44) GPR88OPRK1ROCK2ROCK1NPC1
SCHEMBL432969 0.89 OPRD1 (0.47) GPR88OPRK1ROCK2ROCK1OPRM1
SCHEMBL10083354 0.89 OPRD1 (0.47) GPR88OPRK1ROCK2ROCK1OPRM1
SCHEMBL10084060 0.88 OPRK1 (0.42) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL10083283 0.86 KCNK3 (0.42) GPR88OPRK1ROCK2ROCK1NPC1
Hydrochloric Acid SCHEMBL15380169 0.85 KCNK3 (0.42) GPR88OPRK1ROCK2ROCK1NPC1
Hydrochloric Acid SCHEMBL15380168 0.85 KCNK3 (0.42) GPR88OPRK1ROCK2ROCK1NPC1

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 11 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-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
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO 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 GPR88 53/4885FAAH 520/4885OPRK1 1/4885

“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.