SCHEMBL467479

SCHEMBL467479

CC(C)c1cccnc1-c1[c]cccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
PDK2 Q15119 1/20 0.34
FAAH O00519 2/20 0.32
MGLL Q99685 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL12090332 0.79 GABRA1 (0.46) GABRA1GABRB2PTPRCCTSLCTSS
SCHEMBL1521695 0.79 CYP2A6 (0.44) PTPRCCTSLCTSSPTPN13PDK2
SCHEMBL1451183 0.75 KDM4E (0.41) GABRA1GABRB2PTPRCCTSLCTSS
SCHEMBL9656802 0.75 CDC25B (0.34) PTPRCCTSLCTSSPTPN13LMNA
SCHEMBL4055593 0.75 CYP3A4 (0.37) PTPRCCTSLCTSSPTPN13LMNA
SCHEMBL6716737 0.75 CA12 (0.39) CA1CA2LMNAHPGDSLC6A2
SCHEMBL6716159 0.75 RUNX1 (0.34) PTPRCCTSLCTSSPTPN13TSHR
SCHEMBL713949 0.75 LMNA (0.44) CA1CA2LMNACYP3A4TSHR
SCHEMBL10094579 0.74 GABRA1 (0.43) GABRA1GABRB2PTPRCCTSLCTSS
SCHEMBL29857184 0.74 GABRA1 (0.43) GABRA1GABRB2PTPRCCTSLCTSS

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 24 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-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
EP-1675847-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2006-07-05 EP disclosed
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use ADOLOR CORPORATION 2005-07-21 US disclosed
WO-2005033073-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-04-14 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 (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 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A GABRA1 155/4885GABRB2 60/4885PTPRC 3767/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 GABRA1 126/4885GABRB2 227/4885PTPRC 1882/4885

“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.