SCHEMBL4882972

SCHEMBL4882972

c1ccc2c(c1)CCC21CCCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.54
DRD2 P14416 2/20 0.45
HTR2C P28335 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SIGMAR1 Q99720 13/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC18A3 Q16572 2/20 0.41
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
HTR2B P41595 1/20 0.40
MTOR P42345 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL31059131 1.00 HTR2A (0.54) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL1721596 0.93 HTR2A (0.54) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL1222048 0.89 HTR2A (0.61) HTR2ADRD2HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31137663 0.88 HTR2A (0.59) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL1222440 0.86 HTR2A (0.57) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL29799152 0.86 HTR2A (0.57) HTR2ADRD2HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL31136797 0.85 HTR2A (0.56) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL8227124 0.84 HTR2A (0.56) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL22281808 0.83 HTR2A (0.52) HTR2ADRD2HTR2CSLC6A2SLC6A4
SCHEMBL12084860 0.80 SIGMAR1 (0.50) HTR2ADRD2HTR2CSIGMAR1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565504-B2 Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors BIOGEN MA INC. (US) 2026-03-03 US disclosed
US-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-02-23 US disclosed
EP-4051682-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2022-09-07 EP disclosed
CN-114929709-A Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-D-glucopyranosidase inhibitors 比奥根MA公司 2022-08-19 CN disclosed
WO-2021086966-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2021-05-06 WO disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-8754107-B2 Aminopyrrolidines as chemokine receptor antagonists ABBVIE INC. (US) 2014-06-17 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 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 (6 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-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2A 1050/4885DRD2 1732/4885HTR2C 855/4885
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HTR2A 3226/4885DRD2 4586/4885HTR2C 2716/4885
US-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, ST6GAL1 HTR2A 3270/4885DRD2 807/4885HTR2C 2921/4885
US-12565504-B2 Spirocyclic O-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors MGAT3, ST6GAL1, MGAT1 HTR2A 3759/4885DRD2 2297/4885HTR2C 2145/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HTR2A 3226/4885DRD2 4586/4885HTR2C 2716/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP HTR2A 3226/4885DRD2 4586/4885HTR2C 2716/4885

“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.