SCHEMBL24340329

SCHEMBL24340329

CCC(C)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 2/20 0.61
▸ KCNH2 Q12809 2/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ CCR1 P32246 12/20 0.55
▸ SLC18A3 Q16572 2/20 0.54
▸ CCR5 P51681 1/20 0.52

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
SCHEMBL23009569 0.85 NPC1 (0.53) —
SCHEMBL13588778 0.84 KCNH2 (0.64) ADAMTS5KCNH2HRH3CCR1
SCHEMBL17130353 0.83 EPHX2 (0.63) ADAMTS5CCR1
SCHEMBL15045186 0.82 KCNH2 (0.61) ADAMTS5KCNH2HRH3CCR1
SCHEMBL14672010 0.80 HRH3 (0.56) ADAMTS5KCNH2HRH3CCR1SLC18A3
SCHEMBL23138269 0.79 KCNH2 (0.58) ADAMTS5KCNH2HRH3CCR1SLC18A3
SCHEMBL19702754 0.79 ADAMTS5 (0.51) ADAMTS5KCNH2HRH3CCR1
SCHEMBL22063764 0.79 ADAMTS5 (0.51) ADAMTS5KCNH2HRH3CCR1
SCHEMBL4034093 0.78 ALDH1A1 (0.57) ADAMTS5KCNH2HRH3SLC18A3
SCHEMBL31487378 0.78 RBP4 (0.63) —

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-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS YALE UNIVERSITY 2022-03-31 — — 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-20220098214-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING FIBROSIS DUSP5, DUSP4, DUSP6 ADAMTS5 612/4885KCNH2 4443/4885HRH3 4148/4885

“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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