SCHEMBL471599

SCHEMBL471599

CCNC(=O)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 20/20 0.74
KCNH2 Q12809 18/20 0.74
CYP2D6 P10635 13/20 0.74
OPRK1 P41145 5/20 0.74
MRGPRX2 Q96LB1 1/20 0.73
OPRM1 P35372 2/20 0.50

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
SCHEMBL12262241 0.86 OPRD1 (0.74) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL2072005 0.85 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL471288 0.85 OPRD1 (0.72) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471414 0.84 OPRD1 (0.73) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
Adl-5859 SCHEMBL467481 0.84 OPRD1 (1.00) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
Hydrochloric Acid SCHEMBL2069732 0.84 OPRD1 (0.98) OPRD1KCNH2CYP2D6OPRK1OPRM1
SCHEMBL12262240 0.84 OPRD1 (0.75) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471417 0.83 OPRD1 (0.71) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL10258549 0.82 OPRD1 (0.74) OPRD1KCNH2CYP2D6OPRK1MRGPRX2
SCHEMBL471596 0.81 OPRD1 (0.93) OPRD1KCNH2CYP2D6OPRK1MRGPRX2

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 1285/4885CYP2D6 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.