SCHEMBL432969

SCHEMBL432969

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.47
OPRK1 P41145 3/20 0.47
OPRM1 P35372 1/20 0.47
OPRL1 P41146 1/20 0.47
UGCG Q16739 1/20 0.47
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
MITF O75030 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
MEN1 O00255 1/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
GRIN2B Q13224 1/20 0.43
NPY1R P25929 1/20 0.42

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
SCHEMBL10083354 1.00 OPRD1 (0.47) OPRD1OPRK1OPRM1OPRL1UGCG
SCHEMBL435359 0.89 SMN1; SMN2 (0.54) OPRD1OPRK1OPRM1OPRL1UGCG
SCHEMBL10083323 0.89 SMN1; SMN2 (0.54) OPRD1OPRK1OPRM1OPRL1UGCG
SCHEMBL15380900 0.89 GPR88 (0.41) OPRD1OPRK1OPRM1UGCGROCK2
SCHEMBL459729 0.89 GPR88 (0.41) OPRD1OPRK1OPRM1UGCGROCK2
SCHEMBL15385524 0.88 OPRK1 (0.45) OPRD1OPRK1OPRM1ROCK2ROCK1
SCHEMBL435420 0.88 OPRK1 (0.45) OPRD1OPRK1OPRM1ROCK2ROCK1
SCHEMBL10082983 0.87 HRH3 (0.44) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL10084059 0.87 HDAC4 (0.49) OPRD1OPRK1OPRM1OPRL1ROCK2
Hydrochloric Acid SCHEMBL15380724 0.87 HRH3 (0.43) ALDH1A1LMNASMN1; SMN2MEN1KMT2A

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

“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.