SCHEMBL471570

SCHEMBL471570

COc1cccc2c1C(c1ccc(C#N)cc1)=CC1(CCN(C(=O)OC(C)(C)C)CC1)O2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.42
OPRD1 P41143 6/20 0.41
EGLN2 Q96KS0 2/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
KCNH2 Q12809 5/20 0.37
GPR183 P32249 1/20 0.37
MRGPRX2 Q96LB1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRK1 P41145 1/20 0.36
TACR3 P29371 1/20 0.36
CYP2D6 P10635 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
SCHEMBL12262207 0.86 OPRD1 (0.37) GPR119OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL471349 0.85 OPRD1 (0.59) GPR119OPRD1KCNH2OPRK1CYP2D6
SCHEMBL12262211 0.82 ACACB (0.34) GPR119OPRD1KCNH2
SCHEMBL471572 0.82 ACACB (0.41) OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL471574 0.82 OPRD1 (0.37) GPR119OPRD1KCNH2MRGPRX2ALDH1A1
SCHEMBL16315363 0.81 IDO1 (0.34) GPR119OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL16315365 0.81 ATM (0.34) GPR119OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL16315426 0.81 OPRD1 (0.36) GPR119OPRD1KCNH2MRGPRX2OPRK1
SCHEMBL3710304 0.79 USP30 (0.42) GPR119OPRD1KCNH2OPRK1
SCHEMBL3710301 0.79 USP30 (0.42) GPR119OPRD1KCNH2OPRK1

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 7 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-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-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
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 GPR119 179/4885OPRD1 2/4885EGLN2 1074/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A GPR119 162/4885OPRD1 981/4885EGLN2 1409/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GPR119 179/4885OPRD1 2/4885EGLN2 1074/4885

“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.