SCHEMBL5250706

SCHEMBL5250706

NC[CH]c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TSHR P16473 4/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
KEAP1 Q14145 1/20 0.43
RXRA P19793 1/20 0.43
HTR1B P28222 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 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
SCHEMBL133603 0.80 CHAT (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4791016 0.79 GRIK1 (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7795350 0.78 RXRA (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5254576 0.78 RXRA (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6002916 0.77 RXRA (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL108120 0.75 CHAT (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5254370 0.75 RXRA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10675341 0.75 CYP1A2 (0.46) RXRAHTR1BCHATHDAC8HDAC6
SCHEMBL8671357 0.75 CYP1A2 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5477082 0.75 RXRA (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107801390-B Process for the manufacture of 1-cyclopropylnaphthalene 帕西昂奥地利有限两合公司 2021-12-21 CN disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
CN-1294129-C Heteraryl-substituted porrole derivatives, their prep. and therapeutic use SANKYO CO (JP) 2007-01-10 CN disclosed
US-7122666-B2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-7091352-B2 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-06-15 US disclosed
EP-1377577-B1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO CO (JP) 2006-06-14 EP disclosed
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2005-12-22 US disclosed
US-20040147525-A1 Compounds substituted with bicyclic amino groups SANKYO COMPANY, LIMITED (JP) 2004-07-29 US disclosed
EP-1070711-B1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO CO (JP) 2004-04-14 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0365045-B1 Perhydrothiazepine derivatives, their preparation and their therapeutic use SANKYO CO (JP) 1993-12-01 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 (4 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-20060128756-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1A, IL1B GRIN2D 1049/4885GRIN3B 2157/4885GRIN1 1061/4885
US-20050283006-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, CNKSR1, IL1A GRIN2D 761/4885GRIN3B 1542/4885GRIN1 883/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A GRIN2D 909/4885GRIN3B 1741/4885GRIN1 901/4885
US-20040147525-A1 Compounds substituted with bicyclic amino groups IL2, IL1B, IL4I1 GRIN2D 1059/4885GRIN3B 528/4885GRIN1 368/4885

“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.