SCHEMBL435420

SCHEMBL435420

O=C(O)COc1cccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
THPO P40225 1/20 0.45
OPRD1 P41143 2/20 0.45
CHRM5 P08912 1/20 0.45
MAPT P10636 1/20 0.45
OPRM1 P35372 1/20 0.45
PMP22 Q01453 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GPR88 Q9GZN0 1/20 0.42
ABCB1 P08183 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
AURKB Q96GD4 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL15385524 1.00 OPRK1 (0.45) OPRK1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL10082983 0.90 HRH3 (0.44) TSHRGPR88ABCB1TDP1SMN1; SMN2
SCHEMBL10084055 0.89 GPR88 (0.48) OPRK1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL432402 0.89 GPR88 (0.48) OPRK1CYP1A2CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL15380724 0.89 HRH3 (0.43) TSHRGPR88ABCB1TDP1SMN1; SMN2
Hydrochloric Acid SCHEMBL434331 0.89 HRH3 (0.43) TSHRGPR88ABCB1TDP1SMN1; SMN2
SCHEMBL432969 0.88 OPRD1 (0.47) OPRK1OPRD1OPRM1GPR88SMN1; SMN2
SCHEMBL10083354 0.88 OPRD1 (0.47) OPRK1OPRD1OPRM1GPR88SMN1; SMN2
SCHEMBL433925 0.86 OPRK1 (0.43) OPRK1CYP1A2CYP3A4CYP2D6TSHR
SCHEMBL433924 0.86 OPRK1 (0.43) OPRK1CYP1A2CYP3A4CYP2D6TSHR

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 7 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
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 1/4885CYP1A2 509/4885CYP3A4 770/4885

“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.