SCHEMBL467192

SCHEMBL467192

[c]1c(-c2ncsn2)ccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.33

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
SCHEMBL4720684 0.77 KDM4E (0.37)
SCHEMBL4721004 0.74 EGFR (0.34)
SCHEMBL239122 0.73 CYP2A6 (0.37)
SCHEMBL467414 0.71
SCHEMBL2881985 0.68 PPARA (0.33) PPARA
SCHEMBL4276024 0.67 KDM4E (0.46)
SCHEMBL4718719 0.67 ALDH1A1 (0.50)
SCHEMBL4721859 0.67 RAB9A (0.49)
SCHEMBL9873824 0.67
SCHEMBL79020 0.66 ALDH1A1 (0.35)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2012-06-28 US disclosed
EP-2399577-A1 Use of N-containing spirocompounds for the enhancement of cognitive function Adolor Corporation (US) 2011-12-28 EP disclosed
US-8071611-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-12-06 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-7906646-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2011-03-15 US disclosed
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-11-04 US disclosed
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-09-02 US disclosed
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2010-05-13 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
EP-2063886-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION Adolor Corporation (US) 2009-06-03 EP disclosed
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CALIXA THERAPEUTICS, INC. 2008-05-22 US disclosed
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use ADOLOR CORPORATION (US) 2008-05-01 US disclosed
WO-2008033299-A2 USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION ADOLOR CORPORATION (US) 2008-03-20 WO disclosed
US-7338962-B2 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION (US) 2008-03-04 US disclosed
EP-1871761-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2008-01-02 EP disclosed
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006105442-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2006-10-05 WO disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US 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 (10 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 PPARA 140/4885
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A PPARA 617/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 PPARA 140/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 PPARA 140/4885

“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.