SCHEMBL25581236

SCHEMBL25581236

C=C(CC1CCN(C(C)C)CC1)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.36
▸ KCNH2 Q12809 2/20 0.33

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
SCHEMBL13212863 0.79 HRH3 (0.38) HRH3KCNH2
SCHEMBL26203701 0.76 HRH3 (0.37) HRH3KCNH2
SCHEMBL24671069 0.72 HRH3 (0.37) HRH3KCNH2
SCHEMBL20348267 0.72 HRH3 (0.40) HRH3KCNH2
SCHEMBL14725147 0.72 HRH3 (0.41) HRH3KCNH2
SCHEMBL1261174 0.72 HRH3 (0.44) HRH3KCNH2
SCHEMBL25513773 0.71 PIK3CA (0.38) HRH3KCNH2
SCHEMBL17679889 0.71 HRH3 (0.39) HRH3KCNH2
SCHEMBL10104075 0.71 HRH3 (0.41) HRH3KCNH2
Hydrochloric Acid SCHEMBL2942000 0.70 HRH3 (0.43) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-06-01 — — 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 (1 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-20230167131-A1 HETEROCYCLIC PAD4 INHIBITORS PADI4, PADI2, PADI6 HRH3 1991/4885KCNH2 4499/4885

“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.

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