SCHEMBL216418

SCHEMBL216418

CN1CCc2ccc(N)cc2CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 8/20 0.51
DRD2 P14416 7/20 0.50
DRD5 P21918 7/20 0.50
DRD3 P35462 6/20 0.50
DRD4 P21917 4/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
NR1H2 P55055 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
RAD52 P43351 1/20 0.46
ADRA2C P18825 2/20 0.46
SLC6A4 P31645 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
PTK2B Q14289 1/20 0.45
ESR2 Q92731 1/20 0.45

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
Hydrochloric Acid SCHEMBL3773192 0.98 DRD1 (0.50) DRD1DRD2DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL4591079 0.98 DRD1 (0.50) DRD1DRD2DRD5DRD3DRD4
SCHEMBL218317 0.94 MAOA (0.59) DRD1DRD2DRD5DRD3DRD4
SCHEMBL30561544 0.94 MAOA (0.59) DRD1DRD2DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL4521948 0.92 MAOA (0.60) DRD1DRD2DRD5DRD3DRD4
SCHEMBL188753 0.92 MAOA (0.55) DRD1DRD2DRD5DRD3DRD4
SCHEMBL29506615 0.92 MAOA (0.55) DRD1DRD2DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL4513459 0.90 MAOA (0.57) DRD1DRD2DRD5DRD3DRD4
SCHEMBL215877 0.83 DRD1 (0.55) DRD1DRD2DRD5DRD3DRD4
SCHEMBL3440513 0.83 NR1H2 (0.43) DRD1DRD2NR1H2KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122538-B2 Sulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2006-10-17 US claimed
EP-1549639-B1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LTD (GB) 2006-05-24 EP claimed
US-20060063757-A1 Sulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2006-03-23 US claimed
EP-1549639-A1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP claimed
WO-2004031181-A1 SULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-04-15 WO claimed
EP-4522618-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS Merck Patent GmbH (DE) 2025-03-19 EP disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS MERCK HEALTHCARE KGAA (DE) 2024-01-25 US disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
WO-2023220541-A1 TETRAHYDROPYRIDO[3,4-D]PYRIMIDINES COMPOUNDS AS HPK1 INHIBITORS MERCK PATENT GMBH (DE) 2023-11-16 WO disclosed
CN-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 CN disclosed
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists GLAXO GROUP LIMITED (GB) 2007-03-15 US disclosed
US-20070032473-A1 Substituted amides and their use as medicaments GERLACH KAI 2007-02-08 US disclosed
WO-2007003536-A1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-01-11 WO disclosed
US-7122538-B2 Sulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2006-10-17 US disclosed
EP-1549639-B1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LTD (GB) 2006-05-24 EP disclosed
US-20060063757-A1 Sulfonamide derivatives as antipsychotic agents GLAXO GROUP LIMITED (GB) 2006-03-23 US disclosed
EP-1549639-A1 SULPHONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004031181-A1 SULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2004-04-15 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 (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-20060063757-A1 Sulfonamide derivatives as antipsychotic agents SIGMAR1, CHRM1, NPSR1 DRD1 100/4885DRD2 80/4885DRD5 559/4885
US-20240025922-A1 TETRAHYDROPYRIDO[3,4-d]PYRIMIDINES AS HPK1 INHIBITORS PDXK, DTYMK, HIPK1 DRD1 3342/4885DRD2 3960/4885DRD5 3726/4885
US-20070032473-A1 Substituted amides and their use as medicaments OAT, HLA-B, BCAT2 DRD1 690/4885DRD2 781/4885DRD5 1804/4885
US-20070060566-A1 Benzazepine derivatives as histamine h3 antagonists HRH3, HRH4, HRH1 DRD1 217/4885DRD2 78/4885DRD5 278/4885

“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.