SCHEMBL467242

SCHEMBL467242

CC(C)C([O])c1ncc[nH]1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 7/20 0.43
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP1 P03956 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
F2RL1 P55085 6/20 0.36
NISCH Q9Y2I1 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
SCHEMBL839758 0.82
SCHEMBL19841906 0.77 ALDH1A1 (0.42) FPR2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL26836543 0.77 ALDH1A1 (0.42) FPR2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL3420333 0.77
SCHEMBL29046781 0.77 ADRA2A (0.53) FPR2ADRA2AADRA2BADRA2CALDH1A1
SCHEMBL189942 0.77
Bromide SCHEMBL5133738 0.75
Hydrochloric Acid SCHEMBL4259010 0.75 ADRA2A (0.47) FPR2ADRA2AADRA2BADRA2CALDH1A1
Hydrochloric Acid SCHEMBL10681958 0.75 ADRA2A (0.47) FPR2ADRA2AADRA2BADRA2CALDH1A1
Hydrochloric Acid SCHEMBL27564991 0.75

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 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20100222374-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A FPR2 1938/4885ADRA2A 108/4885ADRA2B 238/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20060270695-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20080102031-A1 Spirocyclic Heterocyclic Derivatives And Methods Of Their Use OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20120165356-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20100280058-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20100120808-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885
US-20050159438-A1 Spirocyclic heterocyclic derivatives and methods of their use OPRK1, OPRD1, OPRL1 FPR2 1333/4885ADRA2A 14/4885ADRA2B 53/4885

“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.