SCHEMBL19658482

SCHEMBL19658482

CC(=O)N(C)CC1CCN(Cc2ccccc2C)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.55
▸ CXCR4 P61073 1/20 0.52
▸ FAAH O00519 1/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ DRD4 P21917 2/20 0.47
▸ ALPL P05186 1/20 0.47
▸ ALPI P09923 1/20 0.47
▸ ALPG P10696 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.47

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
SCHEMBL19652162 0.86 ACHE (0.52) ACHEALDH1A1CXCR4FAAHKMT2A
SCHEMBL19658602 0.86 CXCR4 (0.59) ACHEALDH1A1CXCR4DRD4
SCHEMBL19658384 0.86 ATM (0.55) ACHEALDH1A1KMT2ADRD4
SCHEMBL28003062 0.84 ACHE (0.58) ACHEALDH1A1CXCR4KMT2ADRD4
SCHEMBL19658479 0.83 ACHE (0.76) ACHE
SCHEMBL17753659 0.81 ACHE (0.57) ACHEALDH1A1CXCR4FAAHKMT2A
SCHEMBL17753009 0.79 ACHE (0.60) ACHEKMT2A
SCHEMBL14492295 0.78 ACHE (0.69) ACHEALDH1A1CXCR4FAAHKMT2A
SCHEMBL19658389 0.78 ACHE (0.58) ACHEALDH1A1CXCR4FAAHKMT2A
SCHEMBL19658385 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 ACHE 2649/4885ALDH1A1 1563/4885CXCR4 796/4885

“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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