SCHEMBL12262199

SCHEMBL12262199

CCN(CC)C(=O)c1ccc(C2=CC3(CCN(C(=O)OC(C)(C)C)C3)Oc3cccc(OCOC)c32)cn1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.48
KCNH2 Q12809 10/20 0.48
CYP2D6 P10635 6/20 0.48
MRGPRX2 Q96LB1 1/20 0.39
GPR119 Q8TDV5 5/20 0.36
SCD5 Q86SK9 1/20 0.35
CYP11B2 P19099 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL471474 0.93 OPRD1 (0.48) OPRD1KCNH2CYP2D6MRGPRX2GPR119
SCHEMBL12262194 0.90 OPRD1 (0.51) OPRD1KCNH2CYP2D6MRGPRX2GPR119
SCHEMBL12262188 0.86 OPRD1 (0.65) OPRD1KCNH2CYP2D6
SCHEMBL10257763 0.85 OPRD1 (0.55) OPRD1KCNH2CYP2D6MRGPRX2GPR119
SCHEMBL16359483 0.85 OPRD1 (0.50) OPRD1KCNH2CYP2D6MRGPRX2
SCHEMBL471472 0.83 OPRD1 (0.52) OPRD1KCNH2CYP2D6MRGPRX2GPR119
SCHEMBL16315367 0.83 OPRD1 (0.48) OPRD1KCNH2CYP2D6MRGPRX2
SCHEMBL12262204 0.81 OPRD1 (0.52) OPRD1KCNH2CYP2D6GPR119
SCHEMBL12262193 0.79 SCD5 (0.37) OPRD1GPR119SCD5CYP11B2USP30
SCHEMBL12262138 0.79 OPRD1 (0.65) OPRD1KCNH2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-8022060-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-09-20 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
US-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2011-09-08 US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 US disclosed
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-02-04 US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 US disclosed
US-7598261-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2009-10-06 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 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 (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-20110218186-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 OPRD1 2/4885KCNH2 1285/4885CYP2D6 138/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A OPRD1 981/4885KCNH2 1960/4885CYP2D6 1113/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 OPRD1 2/4885KCNH2 1285/4885CYP2D6 138/4885

“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.