SCHEMBL10066063

SCHEMBL10066063

N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.51
OPRD1 P41143 2/20 0.51
DPP4 P27487 1/20 0.51
HDAC8 Q9BY41 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
OPRK1 P41145 1/20 0.47

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
SCHEMBL10082409 1.00 OPRM1 (0.51) OPRM1OPRD1DPP4HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL895597 0.99 OPRM1 (0.51) OPRM1OPRD1DPP4HDAC8ALDH1A1
Hydrochloric Acid SCHEMBL895599 0.99 OPRM1 (0.51) OPRM1OPRD1DPP4HDAC8ALDH1A1
SCHEMBL3439008 0.87 XIAP (0.52) OPRM1ALDH1A1LMNAMAPT
SCHEMBL10066065 0.85 XIAP (0.57) OPRM1
SCHEMBL895173 0.83 XIAP (0.47) ALDH1A1LMNAMAPT
SCHEMBL10081371 0.83 XIAP (0.65)
SCHEMBL10081797 0.82 XIAP (0.55)
SCHEMBL10066062 0.82 XIAP (0.55)
SCHEMBL13119703 0.81 XIAP (0.53)

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586542-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2013-11-19 US disclosed
US-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. 2013-10-24 US disclosed
US-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. 2013-10-24 US disclosed
US-8222291-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-8222291-B2 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2012-07-17 US disclosed
US-20120082640-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-20120082640-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2012-04-05 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-7807699-B2 Dimeric pyrrolidine amide-containing small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. (US) 2010-10-05 US disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 US disclosed
US-20080051389-A1 Small molecule apoptosis promoters JOYANT PHARMACEUTICALS, INC. 2008-02-28 US disclosed
WO-2007136921-A2 SMALL MOLECULE APOPTOSIS PROMOTERS JOYANT PHARMACEUTICALS, INC. (US) 2007-11-29 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 (3 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-20130281385-A1 SMALL MOLECULE APOPTOSIS PROMOTERS BID, BAD, BAX OPRM1 4408/4885OPRD1 4609/4885DPP4 3556/4885
US-20080051389-A1 Small molecule apoptosis promoters BID, BAD, BAX OPRM1 4408/4885OPRD1 4609/4885DPP4 3556/4885
US-20120082640-A1 Small molecule apoptosis promoters BID, BAD, BAX OPRM1 4408/4885OPRD1 4609/4885DPP4 3556/4885

“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.