SCHEMBL471573

SCHEMBL471573

COc1cccc2c1C(c1ccc(-c3nn[nH]n3)cc1)=CC1(CCNCC1)O2

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 16/20 0.49
KCNH2 Q12809 13/20 0.49
MRGPRX2 Q96LB1 1/20 0.46
XDH P47989 2/20 0.46
OPRK1 P41145 7/20 0.46
CYP2D6 P10635 7/20 0.41
ALDH1A1 P00352 1/20 0.41
OPRM1 P35372 2/20 0.41

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
SCHEMBL471346 0.85 OPRD1 (0.60) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL471699 0.83 OPRD1 (0.48) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL471572 0.82 ACACB (0.41) OPRD1KCNH2MRGPRX2XDHOPRK1
SCHEMBL467366 0.80 OPRD1 (0.67) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL471284 0.79 OPRD1 (0.50) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL16315360 0.77 OPRD1 (0.50) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL16359059 0.77 OPRD1 (0.51) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL10258789 0.76 OPRD1 (0.78) OPRD1KCNH2MRGPRX2OPRK1CYP2D6
SCHEMBL471286 0.73 OPRD1 (0.63) OPRD1KCNH2OPRK1CYP2D6OPRM1
SCHEMBL467355 0.71 OPRD1 (0.72) OPRD1KCNH2MRGPRX2OPRK1CYP2D6

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 OPRD1 2/4885KCNH2 1285/4885MRGPRX2 678/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A OPRD1 981/4885KCNH2 1960/4885MRGPRX2 2493/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 OPRD1 2/4885KCNH2 1285/4885MRGPRX2 678/4885

“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.