SCHEMBL433212

SCHEMBL433212

COC(=O)c1cccc(Cn2c(=O)oc3ccc(C4(C(=O)N[C@H](CN5CCCC5)c5cccc(O)c5)CC4)cc32)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 10/20 0.46
▸ CD74 P04233 4/20 0.44
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ ABHD6 Q9BV23 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL433211 1.00 MIF (0.46) MIFCD74OPRM1OPRK1MAPT
SCHEMBL435180 0.94 MIF (0.43) MIFCD74MAPTPOLBTP53
SCHEMBL435181 0.94 MIF (0.43) MIFCD74MAPTPOLBTP53
SCHEMBL10083366 0.94 MAPT (0.41) MIFCD74MAPTPOLBABHD6
SCHEMBL15380476 0.92 MIF (0.44) MIFCD74MAPTPOLBMEN1
SCHEMBL15380735 0.88 MIF (0.41) MIFCD74OPRK1MAPTPOLB
SCHEMBL16412546 0.80 MIF (0.44) MIFCD74MAPTPOLBABHD6
SCHEMBL16413040 0.80 MIF (0.44) MIFCD74MAPTPOLBABHD6
SCHEMBL433575 0.79 MIF (0.46) MIFCD74OPRM1OPRK1MAPT
SCHEMBL15385530 0.77 SMN1; SMN2 (0.40) OPRK1

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 9 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
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-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 — — US disclosed
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
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 — — 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 MIF 2117/4885CD74 2988/4885OPRM1 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.

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