SCHEMBL19652186

SCHEMBL19652186

Cc1cccc(CN2CCC(CN(C)C(=O)C(C)C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.50
DRD4 P21917 3/20 0.49
DRD2 P14416 1/20 0.49
ACHE P22303 4/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 1/20 0.48
FAAH O00519 1/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
BCHE P06276 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
SCHEMBL19652183 0.88 CYP2D6 (0.53) DRD4DRD2ACHEALDH1A1
SCHEMBL19658389 0.87 ACHE (0.58) CXCR4DRD4DRD2ACHEMEN1
SCHEMBL19652159 0.87 ACHE (0.60) ACHEBCHE
SCHEMBL19652140 0.84 DRD2 (0.54) CXCR4DRD4DRD2MEN1KMT2A
SCHEMBL17754013 0.81 CXCR4 (0.56) CXCR4DRD4DRD2ACHEMEN1
SCHEMBL19652286 0.80 SLC6A4 (0.49) ACHE
SCHEMBL19652185 0.77 ATM (0.53) DRD4DRD2ACHEMEN1KMT2A
SCHEMBL19658607 0.77 CXCR4 (0.56) CXCR4DRD4DRD2ALDH1A1
SCHEMBL14492265 0.76 CXCR4 (0.62) CXCR4DRD4DRD2ACHEMEN1
SCHEMBL19658974 0.75 DRD2 (0.54) CXCR4DRD4DRD2MEN1KMT2A

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 CXCR4 796/4885DRD4 3039/4885DRD2 2016/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CXCR4 796/4885DRD4 3039/4885DRD2 2016/4885

“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.