SCHEMBL435448

SCHEMBL435448

CS(=O)(=O)c1ccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.43
GPR88 Q9GZN0 1/20 0.41
OPRK1 P41145 3/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
CCR5 P51681 2/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.39
BDKRB1 P46663 1/20 0.39
HSD11B1 P28845 2/20 0.39
CYP2D6 P10635 1/20 0.39
ATM Q13315 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL10083346 1.00 CCR2 (0.43) CCR2GPR88OPRK1OPRM1OPRD1
SCHEMBL15385513 0.91 GAA (0.50) GPR88ALDH1A1GAAHSD11B1
SCHEMBL432776 0.91 GAA (0.50) GPR88ALDH1A1GAAHSD11B1
SCHEMBL10083283 0.89 KCNK3 (0.42) CCR2GPR88OPRK1OPRM1OPRD1
SCHEMBL10083025 0.89 ALDH1A1 (0.44) GPR88OPRK1OPRM1OPRD1CCR5
SCHEMBL434277 0.89 ALDH1A1 (0.44) GPR88OPRK1OPRM1OPRD1CCR5
Hydrochloric Acid SCHEMBL15380169 0.88 KCNK3 (0.42) GPR88OPRK1OPRM1OPRD1ALDH1A1
Hydrochloric Acid SCHEMBL15380168 0.88 KCNK3 (0.42) GPR88OPRK1OPRM1OPRD1ALDH1A1
SCHEMBL435831 0.88 HSD11B1 (0.50) GPR88ALDH1A1NPC1GAAHSD11B1
SCHEMBL15385492 0.88 HSD11B1 (0.50) GPR88ALDH1A1NPC1GAAHSD11B1

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 5 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
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 CCR2 105/4885GPR88 53/4885OPRK1 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.