SCHEMBL12265488

SCHEMBL12265488

CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1c(F)cccc1O2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 1/20 0.45
KLK7 P49862 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ACACB O00763 5/20 0.44
IDO1 P14902 1/20 0.44
GPR119 Q8TDV5 5/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL471550 0.88 KMT2A (0.46) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL16496500 0.87 KDM4E (0.43) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL29624718 0.87 IDO1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL16496996 0.87 IDO1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL13636573 0.87 GPR119 (0.45) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL1589943 0.87 SCD (0.45) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3814137 0.87 IDO1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3814131 0.87 IDO1 (0.46) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL1589942 0.87 SCD (0.45) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL4267298 0.86 ACACB (0.59) ACACB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A KDM4E 2250/4885ALDH1A1 1162/4885LMNA 3384/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 KDM4E 4218/4885ALDH1A1 259/4885LMNA 982/4885

“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.