SCHEMBL19652181

SCHEMBL19652181

CN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.50
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL19652161 0.90 ACHE (0.50) ACHE
SCHEMBL19652184 0.89 ACHE (0.51) ACHE
SCHEMBL19652180 0.87 HTT (0.55) ACHEALDH1A1
SCHEMBL19658385 0.86 ACHE (0.60) ACHE
SCHEMBL19652182 0.82 CXCR4 (0.55) ACHEALDH1A1
SCHEMBL17754018 0.80 ALDH1A1 (0.59) ALDH1A1
SCHEMBL19652162 0.78 ACHE (0.52) ACHEALDH1A1
SCHEMBL19658392 0.78 ALDH1A1 (0.48) ALDH1A1
SCHEMBL23560054 0.77 SMN1; SMN2 (0.42) ACHE
SCHEMBL17753009 0.75 ACHE (0.60) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 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-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 ACHE 2649/4885ALDH1A1 1563/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACHE 2649/4885ALDH1A1 1563/4885

“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.