SCHEMBL471631

SCHEMBL471631

CCN(CC)C(=O)c1ccc(C2=CC3(CCCN(C(=O)OC(C)(C)C)CC3)Oc3ccc(OCOC)cc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 18/20 0.53
KCNH2 Q12809 17/20 0.53
OPRK1 P41145 2/20 0.49
CYP2D6 P10635 9/20 0.47
GPR119 Q8TDV5 2/20 0.41
MRGPRX2 Q96LB1 1/20 0.39
OPRM1 P35372 1/20 0.37

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
SCHEMBL10290864 0.90 OPRD1 (0.59) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL12262181 0.88 OPRD1 (0.64) OPRD1KCNH2OPRK1CYP2D6MRGPRX2
SCHEMBL10257643 0.86 OPRD1 (0.57) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL471447 0.86 OPRD1 (0.72) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL10258058 0.85 OPRD1 (0.55) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL10257971 0.85 OPRD1 (0.59) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL471472 0.85 OPRD1 (0.52) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL10258385 0.85 OPRD1 (0.61) OPRD1KCNH2OPRK1CYP2D6GPR119
SCHEMBL471292 0.85 OPRD1 (0.68) OPRD1KCNH2OPRK1CYP2D6MRGPRX2
SCHEMBL12265145 0.85 OPRD1 (0.63) OPRD1KCNH2OPRK1CYP2D6GPR119

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 1285/4885OPRK1 1/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A OPRD1 981/4885KCNH2 1960/4885OPRK1 420/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 OPRD1 2/4885KCNH2 1285/4885OPRK1 1/4885

“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.