SCHEMBL10083029

SCHEMBL10083029

CC(C)(C)OC(=O)Cn1c(=O)oc2ccc(C3(C(=O)NC(CN4CCCC4)c4ccccc4)CC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TSHR P16473 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ OPRK1 P41145 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ UTS2R Q9UKP6 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ POLB P06746 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GPR88 Q9GZN0 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL15380225 1.00 SMN1; SMN2 (0.39) SMN1; SMN2ATMTSHRALOX15OPRK1
SCHEMBL15385530 0.89 SMN1; SMN2 (0.40) SMN1; SMN2OPRK1CYP3A4CYP2D6UTS2R
SCHEMBL10083989 0.89 SMN1; SMN2 (0.40) SMN1; SMN2OPRK1CYP3A4CYP2D6UTS2R
Hydrochloric Acid SCHEMBL434192 0.88 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1CYP3A4CYP2D6UTS2R
Hydrochloric Acid SCHEMBL15380433 0.88 SMN1; SMN2 (0.39) SMN1; SMN2OPRK1CYP3A4CYP2D6UTS2R
SCHEMBL16412829 0.85 SMN1; SMN2 (0.42) SMN1; SMN2OPRK1CYP3A4POLBTP53
SCHEMBL16412445 0.85 SMN1; SMN2 (0.42) SMN1; SMN2OPRK1CYP3A4POLBTP53
SCHEMBL435463 0.84 GPR88 (0.37) SMN1; SMN2MAPK1TP53GPR88
SCHEMBL435464 0.84 GPR88 (0.37) SMN1; SMN2MAPK1TP53GPR88
SCHEMBL10083366 0.81 MAPT (0.41) POLBTP53MAPTMEN1KMT2A

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 SMN1; SMN2 917/4885ATM 4049/4885TSHR 706/4885

“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.

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