SCHEMBL432941

SCHEMBL432941

NC(=O)c1cccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.44
OPRM1 P35372 7/20 0.44
OPRD1 P41143 4/20 0.44
RPS6KB1 P23443 2/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
MITF O75030 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR88 Q9GZN0 1/20 0.38

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
SCHEMBL10083363 1.00 OPRK1 (0.44) OPRK1OPRM1OPRD1RPS6KB1AURKA
SCHEMBL432280 0.92 ALDH1A1 (0.44) OPRK1RPS6KB1AURKAAURKBMITF
SCHEMBL15380628 0.92 ALDH1A1 (0.44) OPRK1RPS6KB1AURKAAURKBMITF
SCHEMBL431718 0.89 RPS6KB1 (0.44) OPRK1OPRD1RPS6KB1AURKAAURKB
SCHEMBL15386629 0.89 RPS6KB1 (0.44) OPRK1OPRD1RPS6KB1AURKAAURKB
SCHEMBL435831 0.87 HSD11B1 (0.50) MITFALDH1A1HTTRAB9AGFER
SCHEMBL15385492 0.87 HSD11B1 (0.50) MITFALDH1A1HTTRAB9AGFER
SCHEMBL10083301 0.86 KMT2A (0.41) RPS6KB1AURKAAURKBMITFALDH1A1
Hydrochloric Acid SCHEMBL15380695 0.86 HSD11B1 (0.49) OPRK1OPRM1OPRD1MITFALDH1A1
Hydrochloric Acid SCHEMBL434246 0.86 HSD11B1 (0.49) OPRK1OPRM1OPRD1MITFALDH1A1

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 OPRK1 1/4885OPRM1 4/4885OPRD1 3/4885

“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.