SCHEMBL435359

SCHEMBL435359

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
ALDH1A1 P00352 2/20 0.54
MITF O75030 2/20 0.54
LMNA P02545 2/20 0.54
HIF1A Q16665 1/20 0.54
GPR88 Q9GZN0 1/20 0.48
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
UGCG Q16739 1/20 0.44
OPRK1 P41145 3/20 0.44
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRL1 P41146 1/20 0.44

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
SCHEMBL10083323 1.00 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL15385492 0.89 HSD11B1 (0.50) SMN1; SMN2ALDH1A1MITFGPR88MEN1
SCHEMBL435831 0.89 HSD11B1 (0.50) SMN1; SMN2ALDH1A1MITFGPR88MEN1
SCHEMBL10083354 0.89 OPRD1 (0.47) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL432969 0.89 OPRD1 (0.47) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL10083021 0.88 GPR88 (0.45) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
Hydrochloric Acid SCHEMBL15380695 0.88 HSD11B1 (0.49) SMN1; SMN2ALDH1A1MITFGPR88MEN1
Hydrochloric Acid SCHEMBL434246 0.88 HSD11B1 (0.49) SMN1; SMN2ALDH1A1MITFGPR88MEN1
SCHEMBL432402 0.88 GPR88 (0.48) SMN1; SMN2ALDH1A1MITFLMNAHIF1A
SCHEMBL10084055 0.88 GPR88 (0.48) SMN1; SMN2ALDH1A1MITFLMNAHIF1A

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
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

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 SMN1; SMN2 917/4885ALDH1A1 1649/4885MITF 3668/4885

“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.