SCHEMBL29340428

SCHEMBL29340428

OCc1c2cc(Br)ccc2nn1CC1CCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.44
▸ GRM2 Q14416 4/20 0.36
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A2 P11168 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL29121967 0.78 MAPT (0.36) MAPK8HTTCNR1RXFP1POLB
SCHEMBL29121814 0.76 MAPK8 (0.42) MAPK8GRM2HTTCNR1MAPT
SCHEMBL29121912 0.76 MAPK8 (0.50) MAPK8SLC2A1SLC2A2SLC2A3HTT
SCHEMBL29121838 0.76 USP30 (0.41) —
SCHEMBL29122457 0.76 MAPT (0.38) MAPK8HTTCNR1RXFP1POLB
SCHEMBL29123043 0.75 POLB (0.40) MAPK8HTTCNR1RXFP1POLB
SCHEMBL20450508 0.71 LMNA (0.38) MAPK8HTTRXFP1MAPTLMNA
SCHEMBL29121828 0.71 IRAK4 (0.35) MAPK8SLC2A1SLC2A2SLC2A3HTT
SCHEMBL23218779 0.70 MAPT (0.39) MAPK8GRM2SLC2A1SLC2A2SLC2A3
SCHEMBL23218686 0.68 HTT (0.37) HTTRXFP1MAPTLMNAALDH1A1

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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 — — 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 MAPK8 2662/4885GRM2 4657/4885SLC2A1 4340/4885

“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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