SCHEMBL100931

SCHEMBL100931

Brc1cncc(N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 8/20 0.60
CHRNA4 P43681 8/20 0.60
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CHRNB4 P30926 5/20 0.47
CHRNA3 P32297 5/20 0.47
LRRK2 Q5S007 2/20 0.46
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TLR9 Q9NR96 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
SCHEMBL12205229 0.86 LRRK2 (0.51) CHRNB2CHRNA4ALDH1A1MAPTKDM4E
SCHEMBL2067959 0.82 CHRNB2 (0.77) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL1980777 0.82 CHRNB2 (0.77) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL30665753 0.82 CHRNB2 (0.77) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL3378512 0.82 MAPT (0.52) CHRNB2CHRNA4ALDH1A1HPGDMAPT
SCHEMBL3361367 0.81 CHRNB2 (0.74) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL30665760 0.81 CHRNB2 (0.74) CHRNB2CHRNA4MAPTCHRNB4CHRNA3
SCHEMBL16935399 0.80 CHRNB2 (0.58) CHRNB2CHRNA4ALDH1A1HPGDMAPT
SCHEMBL24270121 0.78 KDM4E (0.50) ALDH1A1HPGDMAPTKDM4EHSD17B10
SCHEMBL19118283 0.78 CHRNB2 (0.64) CHRNB2CHRNA4ALDH1A1MAPTCHRNB4

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 274 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260116878-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF BIOSPLICE THERAPEUTICS INC (US) 2026-04-30 US disclosed
EP-4568746-B1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2026-04-29 EP disclosed
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-07-24 US disclosed
EP-4568746-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 EP disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
CN-119768401-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-04-04 CN disclosed
CN-119731159-A SARS-CoV2 main proteinase inhibitor 吉利德科学公司 2025-03-28 CN disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
EP-2343299-A1 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors Incyte Corporation (US) 2011-07-13 EP disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
WO-2011075559-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD. (SG) 2011-06-23 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 US disclosed
US-7598257-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2009-10-06 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 US disclosed
EP-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 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 (8 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CHRNB2 4662/4885CHRNA4 4881/4885ALDH1A1 3259/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE CHRNB2 4662/4885CHRNA4 4881/4885ALDH1A1 3259/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 CHRNB2 4782/4885CHRNA4 4658/4885ALDH1A1 2035/4885
US-20250236617-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES GRIN2C, CYP3A4, BICRA CHRNB2 703/4885CHRNA4 220/4885ALDH1A1 949/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CHRNB2 4730/4885CHRNA4 4846/4885ALDH1A1 3413/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 CHRNB2 4730/4885CHRNA4 4846/4885ALDH1A1 3413/4885
US-20260116878-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CHRNB2 305/4885CHRNA4 479/4885ALDH1A1 1879/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD CHRNB2 4411/4885CHRNA4 4372/4885ALDH1A1 2460/4885

“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.