SCHEMBL30728883

SCHEMBL30728883

c1ccc2c(OC3CCNCC3)noc2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.47
CHRM3 P20309 2/20 0.45
SLC6A2 P23975 2/20 0.45
NMT1 P30419 3/20 0.42
ACHE P22303 1/20 0.41
FAAH O00519 1/20 0.41
MGLL Q99685 1/20 0.41
HTR1A P08908 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL10304673 0.91 CHRNB2 (0.43) HRH1CHRM3SLC6A2ACHEFAAH
SCHEMBL632508 0.81 ACHE (0.41) ACHEFAAHMGLLHTR1A
SCHEMBL7278431 0.80 FAAH (0.46) HRH1NMT1FAAH
SCHEMBL7278648 0.79 ACHE (0.45) CHRM3SLC6A2NMT1ACHEFAAH
Hydrochloric Acid SCHEMBL7280489 0.79 FAAH (0.45) HRH1NMT1FAAH
Hydrochloric Acid SCHEMBL7280360 0.78 ACHE (0.44) CHRM3SLC6A2ACHEFAAHMGLL
SCHEMBL632513 0.78 ACHE (0.39) ACHEFAAHMGLL
SCHEMBL9411204 0.78 ACHE (0.62) SLC6A2ACHEFAAHMGLL
SCHEMBL911842 0.77 SLC6A4 (0.44) SLC6A2ACHEFAAHMGLLSLC6A3
SCHEMBL911841 0.77 SLC6A4 (0.44) SLC6A2ACHEFAAHMGLLSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545682-B2 Heterocyclic derivatives as P2X7 receptor antagonists BREYE THERAPEUTICS APS (DK) 2026-02-10 US claimed
US-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists BREYE THERAPEUTICS APS (DK) 2024-02-01 US claimed

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-20240034737-A1 Heterocyclic Derivatives as P2X7 Receptor Antagonists P2RX7, P2RX3, P2RX1 HRH1 421/4885CHRM3 499/4885SLC6A2 1205/4885
US-12545682-B2 Heterocyclic derivatives as P2X7 receptor antagonists P2RX7, P2RX3, P2RX1 HRH1 589/4885CHRM3 63/4885SLC6A2 850/4885

“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.