SCHEMBL863635

SCHEMBL863635

COC(=O)CCN1CCCC1CC(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
OPRD1 P41143 3/20 0.44
HRH3 Q9Y5N1 2/20 0.44
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 1/20 0.38
LTA4H P09960 1/20 0.37
ALDH1A1 P00352 1/20 0.37
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL6922946 1.00 SMN1; SMN2 (0.45) SMN1; SMN2OPRD1HRH3HDAC8HDAC6
SCHEMBL19349848 0.95 SMN1; SMN2 (0.44) SMN1; SMN2OPRD1HRH3TSHRLTA4H
SCHEMBL20794632 0.88 OPRD1 (0.43) SMN1; SMN2OPRD1HRH3HDAC8HDAC6
SCHEMBL12706905 0.87 OPRD1 (0.47) OPRD1HRH3HDAC8HDAC6HDAC1
SCHEMBL500099 0.86 LTA4H (0.47) SMN1; SMN2OPRD1HRH3TSHRLTA4H
SCHEMBL10232077 0.86 OPRD1 (0.40) SMN1; SMN2OPRD1HRH3HDAC8HDAC6
SCHEMBL15782974 0.86 SMN1; SMN2 (0.48) SMN1; SMN2OPRD1HRH3HDAC8HDAC6
SCHEMBL19360212 0.86 ALDH1A1 (0.42) SMN1; SMN2OPRD1HRH3L3MBTL1TSHR
SCHEMBL15782960 0.85 SMN1; SMN2 (0.41) SMN1; SMN2OPRD1HRH3L3MBTL1ALDH1A1
SCHEMBL19570919 0.84 OPRD1 (0.54) OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019040106-A2 COMPOUNDS, SALTS THEREOF AND METHODS FOR TREATMENT OF DISEASES ACADIA PHARMACEUTICALS INC. (US) 2019-02-28 WO disclosed
US-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 US disclosed
US-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 US disclosed
US-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX CLEAVE BIOSCIENCES INC (US) 2017-09-21 US disclosed
EP-2440563-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-04-18 EP disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2012-03-29 US disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
WO-2010144571-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-12-16 WO disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP 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-20170267679-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF p97 COMPLEX PSMG3, PSME1, PSMB3 SMN1; SMN2 2654/4885OPRD1 2957/4885HRH3 3042/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 SMN1; SMN2 4831/4885OPRD1 880/4885HRH3 903/4885
US-20120077802-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 SMN1; SMN2 1663/4885OPRD1 240/4885HRH3 1/4885

“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.