SCHEMBL471541

SCHEMBL471541

O=C(O)CC1(Cc2ccc(F)cc2)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM1A O60341 3/20 0.47
CYP2C19 P33261 1/20 0.46
GRIN2B Q13224 1/20 0.45
OPRD1 P41143 2/20 0.44
OPRK1 P41145 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
ENPP2 Q13822 1/20 0.42
ATXN2 Q99700 1/20 0.42

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
SCHEMBL471320 0.93 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL471329 0.88 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12050043 0.87 SCN5A (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3076541 0.85 MEN1 (0.52) RORCMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL5807633 0.82 P2RX7 (0.47) RORCMEN1KMT2AOPRD1OPRK1
SCHEMBL14188141 0.81 HTT (0.55) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL12030678 0.81 SCN5A (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29051785 0.81 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL8696969 0.79 RORC (0.58) RORCMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL12050040 0.78 HTT (0.49) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 12 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-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-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-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
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 RORC 17/4885MEN1 4606/4885KMT2A 2918/4885
US-20080119452-A1 METHODS FOR ENHANCING COGNITIVE FUNCTION CHAT, GRIN2C, GRIN2A RORC 2531/4885MEN1 4693/4885KMT2A 2128/4885
US-20100029614-A1 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE OPRK1, OPRD1, OPRL1 RORC 17/4885MEN1 4606/4885KMT2A 2918/4885

“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.