SCHEMBL471213

SCHEMBL471213

CC(C)(C)OC(=O)N1CCC2(C=C(c3ccccc3)c3cc(O)ccc3O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.46
KCNH2 Q12809 9/20 0.46
OPRK1 P41145 3/20 0.46
GPR119 Q8TDV5 4/20 0.44
KMT2A Q03164 1/20 0.44
SCD5 Q86SK9 1/20 0.43
USP30 Q70CQ3 2/20 0.41
ESR2 Q92731 1/20 0.40
TACR1 P25103 1/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL471189 0.89 OPRD1 (0.48) OPRD1KCNH2OPRK1GPR119SCD5
SCHEMBL12482065 0.89 OPRD1 (0.54) OPRD1KCNH2OPRK1CYP2D6
SCHEMBL471212 0.89 OPRD1 (0.45) OPRD1KCNH2OPRK1GPR119KMT2A
SCHEMBL12262229 0.87 OPRD1 (0.52) OPRD1KCNH2OPRK1GPR119SCD5
SCHEMBL12262289 0.86 SCD5 (0.44) OPRD1KCNH2OPRK1GPR119SCD5
SCHEMBL471292 0.85 OPRD1 (0.68) OPRD1KCNH2OPRK1KMT2ACYP2D6
SCHEMBL12262231 0.85 GPR119 (0.44) OPRD1KCNH2GPR119SCD5USP30
SCHEMBL471222 0.84 OPRD1 (0.62) OPRD1KCNH2OPRK1CYP2D6
SCHEMBL12265572 0.82 OPRD1 (0.46) OPRD1KCNH2OPRK1CYP2D6
SCHEMBL471297 0.82 OPRD1 (0.61) OPRD1KCNH2OPRK1GPR119CYP2D6

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 11 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
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 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-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.