SCHEMBL550104

SCHEMBL550104

CCOC(=O)N1CCc2ncsc2CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.50
DRD3 P35462 3/20 0.50
MAPK1 P28482 1/20 0.50
GRM5 P41594 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
RXFP1 Q9HBX9 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.42
ABL1 P00519 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
RIN1 Q13671 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 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
SCHEMBL741667 0.90 MAPK1 (0.59) DRD2DRD3MAPK1GRM5SMN1; SMN2
SCHEMBL2925057 0.82 DRD2 (0.47) DRD2DRD3MAPK1GRM5SMN1; SMN2
SCHEMBL6436553 0.82 MAPK1 (0.49) DRD2DRD3MAPK1GRM5SMN1; SMN2
SCHEMBL30513280 0.79 MAPK1 (0.55) DRD2DRD3MAPK1GRM5SMN1; SMN2
SCHEMBL30513269 0.77 MAPK1 (0.63) DRD2DRD3MAPK1GRM5RXFP1
SCHEMBL2079818 0.75 SMN1; SMN2 (0.39) MAPK1GRM5SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL982355 0.74 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL16765902 0.73 MEN1 (0.53) DRD2DRD3MAPK1GRM5SMN1; SMN2
SCHEMBL14970397 0.73 MAPK1 (0.51) DRD2DRD3MAPK1GRM5L3MBTL1
SCHEMBL1181383 0.72 ALDH1A1 (0.61) MAPK1SMN1; SMN2L3MBTL1ALDH1A1RXFP1

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-2225223-B1 ORGANIC COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2017-01-11 EP disclosed
EP-2225227-B1 1',3'-Dihydrospiro[imidazolidin-4,2'-inden]-2,5-diones and 1,3-dihydrospiro[inden-2,3']-pyrroles as CGRP antagonists BOEHRINGER INGELHEIM INT (DE) 2015-08-26 EP disclosed
US-8829006-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA DRD2 640/4885DRD3 489/4885MAPK1 3334/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA DRD2 738/4885DRD3 552/4885MAPK1 3723/4885

“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.