SCHEMBL19652182

SCHEMBL19652182

CN(CC1CCN(Cc2ccccc2Cl)CC1)C(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 9/20 0.55
ALDH1A1 P00352 1/20 0.52
ATM Q13315 1/20 0.52
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
POLB P06746 1/20 0.49
ACHE P22303 3/20 0.48
FAAH O00519 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 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 0.87 ACHE (0.52) CXCR4ALDH1A1ATMDRD4ACHE
SCHEMBL19658602 0.87 CXCR4 (0.59) CXCR4ALDH1A1ATMDRD2DRD4
SCHEMBL19658607 0.85 CXCR4 (0.56) CXCR4ALDH1A1ATMDRD2DRD4
SCHEMBL19652181 0.82 ACHE (0.50) ALDH1A1ACHE
SCHEMBL19652161 0.80 ACHE (0.50) ACHEFAAH
SCHEMBL19652180 0.80 HTT (0.55) CXCR4ALDH1A1ATMDRD2DRD4
SCHEMBL19652184 0.79 ACHE (0.51) ACHE
SCHEMBL17754048 0.78 CXCR4 (0.60) CXCR4ALDH1A1ATMDRD2DRD4
SCHEMBL18768411 0.76 LMNA (0.48) CXCR4ALDH1A1ATMDRD2DRD4
SCHEMBL28910476 0.74 CXCR4 (0.61) CXCR4ALDH1A1ATMDRD4POLB

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 796/4885ALDH1A1 1563/4885ATM 1939/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CXCR4 796/4885ALDH1A1 1563/4885ATM 1939/4885

“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.