SCHEMBL432402

SCHEMBL432402

O=C(O)COc1ccc(C2(C(=O)NC(CN3CCCC3)c3ccccc3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 4/20 0.48
MITF O75030 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NLRP1 Q9C000 1/20 0.41
MAPK1 P28482 1/20 0.40
ABCB1 P08183 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
OPRK1 P41145 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
GAA P10253 1/20 0.39
CHRM5 P08912 1/20 0.39
OPRM1 P35372 1/20 0.39

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
SCHEMBL10084055 1.00 GPR88 (0.48) GPR88MITFLMNASMN1; SMN2MAPT
SCHEMBL15385524 0.89 OPRK1 (0.45) GPR88SMN1; SMN2MAPTABCB1OPRK1
SCHEMBL435420 0.89 OPRK1 (0.45) GPR88SMN1; SMN2MAPTABCB1OPRK1
SCHEMBL435359 0.88 SMN1; SMN2 (0.54) GPR88MITFLMNASMN1; SMN2MAPT
SCHEMBL10083323 0.88 SMN1; SMN2 (0.54) GPR88MITFLMNASMN1; SMN2MAPT
SCHEMBL15385492 0.87 HSD11B1 (0.50) GPR88MITFSMN1; SMN2RAB9AMAPK1
SCHEMBL435831 0.87 HSD11B1 (0.50) GPR88MITFSMN1; SMN2RAB9AMAPK1
Hydrochloric Acid SCHEMBL434246 0.86 HSD11B1 (0.49) GPR88MITFSMN1; SMN2RAB9AMAPK1
Hydrochloric Acid SCHEMBL15380695 0.86 HSD11B1 (0.49) GPR88MITFSMN1; SMN2RAB9AMAPK1
SCHEMBL10083021 0.84 GPR88 (0.45) GPR88MITFLMNASMN1; SMN2MAPT

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 GPR88 53/4885MITF 3668/4885LMNA 3849/4885

“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.