SCHEMBL19652133

SCHEMBL19652133

CC(C)C(=O)N(C)C1CCN(CC2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.46
ACHE P22303 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRM5 P08912 1/20 0.42
ADRA2C P18825 1/20 0.42
CCR1 P32246 1/20 0.38
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL26170569 0.84 CCR5 (0.43) CCR5
SCHEMBL13478936 0.83 CCR5 (0.44) CCR5ACHESMN1; SMN2
SCHEMBL19658486 0.83 ACHE (0.49) CCR5ACHESMN1; SMN2CHRM5ADRA2C
SCHEMBL28003016 0.81 ACHE (0.51) CCR5ACHESMN1; SMN2CHRM5ADRA2C
SCHEMBL23696551 0.81 CCR5 (0.47) CCR5SMN1; SMN2
SCHEMBL19658488 0.81 ACHE (0.44) ACHESMN1; SMN2CHRM5ADRA2CCCR1
SCHEMBL25888057 0.80 CCR5 (0.46) CCR5ALDH1A1PKM
SCHEMBL19652112 0.80 CCR5 (0.46) CCR5SMN1; SMN2ALDH1A1
SCHEMBL19652209 0.79 ACHE (0.46) ACHESMN1; SMN2CHRM5ADRA2CCCR1
SCHEMBL13478904 0.79 ACHE (0.49) CCR5ACHESMN1; SMN2CHRM5ADRA2C

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 CCR5 1178/4885ACHE 2649/4885SMN1; SMN2 1221/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CCR5 1178/4885ACHE 2649/4885SMN1; SMN2 1221/4885

“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.