SCHEMBL471572

SCHEMBL471572

COc1cccc2c1C(c1ccc(-c3nn[nH]n3)cc1)=CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACACB O00763 8/20 0.41
XDH P47989 1/20 0.38
OPRD1 P41143 3/20 0.36
KCNH2 Q12809 3/20 0.36
MRGPRX2 Q96LB1 1/20 0.36
OPRK1 P41145 1/20 0.35
GRIK1 P39086 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
SCHEMBL471322 0.87 OPRD1 (0.49) OPRD1KCNH2OPRK1
SCHEMBL471574 0.85 OPRD1 (0.37) ACACBOPRD1KCNH2MRGPRX2
SCHEMBL12262207 0.82 OPRD1 (0.37) ACACBOPRD1KCNH2MRGPRX2OPRK1
SCHEMBL471570 0.82 GPR119 (0.42) OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL12262211 0.82 ACACB (0.34) ACACBOPRD1KCNH2
SCHEMBL471573 0.82 OPRD1 (0.49) XDHOPRD1KCNH2MRGPRX2OPRK1
SCHEMBL471285 0.81 OPRD1 (0.44) OPRD1KCNH2OPRK1
SCHEMBL16315363 0.79 IDO1 (0.34) ACACBOPRD1KCNH2MRGPRX2OPRK1
SCHEMBL16315426 0.79 OPRD1 (0.36) ACACBOPRD1KCNH2MRGPRX2OPRK1
SCHEMBL16315365 0.77 ATM (0.34) ACACBOPRD1KCNH2MRGPRX2OPRK1

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
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
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 ACACB 1799/4885XDH 750/4885OPRD1 2/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A ACACB 337/4885XDH 912/4885OPRD1 981/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 ACACB 1799/4885XDH 750/4885OPRD1 2/4885

“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.