SCHEMBL3259002

SCHEMBL3259002

Cc1cccc([C@@H](N)[C@@H](N)c2cccc(C)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
DPP4 P27487 2/20 0.48
AOC3 Q16853 1/20 0.46
ACP3 P15309 1/20 0.46
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
MAPT P10636 1/20 0.39
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
IDO1 P14902 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
SCHEMBL12569050 1.00 ACHE (0.52) ACHEDPP4AOC3ACP3ALDH1A1
SCHEMBL3254719 1.00 ACHE (0.52) ACHEDPP4AOC3ACP3ALDH1A1
SCHEMBL23241790 0.89 AOC3 (0.46) ACHEDPP4AOC3ACP3ALDH1A1
SCHEMBL17519154 0.86 ADRB2 (0.45) ACHEDPP4AOC3ACP3ALDH1A1
SCHEMBL78261 0.85 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL11003398 0.85 ACHE (0.52) ACHEAOC3ACP3ALDH1A1MAPK1
SCHEMBL18793669 0.85 ACP3 (0.43) ACHEAOC3ACP3ALDH1A1PARP1
Hydrochloric Acid SCHEMBL18765596 0.83 ALDH1A1 (0.42) ACHEAOC3ACP3ALDH1A1PARP1
Hydrochloric Acid SCHEMBL20720309 0.83 ALDH1A1 (0.42) ACHEAOC3ACP3ALDH1A1PARP1
Hydrochloric Acid SCHEMBL29676785 0.83 ALDH1A1 (0.42) ACHEAOC3ACP3ALDH1A1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741493-B2 4,5-diphenyl-2-amino-4,5-dihydro-imidazole derivatives; antiinflammatory agent, neurodegenerative diseases; inflammatory bowel disease, rheumatoid arthritis and diseases associated with central nervous system, such as Alzheimer's disease AVENTIS PHARMACEUTICALS INC. (US) 2010-06-22 US disclosed
EP-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed
US-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2008-06-05 US disclosed
US-7326792-B2 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2008-02-05 US disclosed
EP-1651613-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS Aventis Pharmaceuticals, Inc. (US) 2006-05-03 EP disclosed
WO-2005014555-A1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMACEUTICALS INC. (US) 2005-02-17 WO disclosed
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers AVENTIS PHARMACEUTICALS INC. (US) 2005-02-03 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-20080132550-A1 HETEROCYCLIC COMPOUNDS AS P2X7 ION CHANNEL BLOCKERS P2RX3, P2RX2, P2RX5 ACHE 620/4885DPP4 1001/4885AOC3 1252/4885
US-20050026916-A1 Heterocyclic compounds as P2X7 ion channel blockers P2RX3, P2RX2, P2RX5 ACHE 620/4885DPP4 1001/4885AOC3 1252/4885

“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.