SCHEMBL19652183

SCHEMBL19652183

CC(C)C(=O)N(C)CC1CCN(Cc2cccc(F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
SIGMAR1 Q99720 4/20 0.51
ACHE P22303 2/20 0.51
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
CACNA1G O43497 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MLNR O43193 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL19652186 0.88 CXCR4 (0.50) ACHEDRD2DRD4ALDH1A1
SCHEMBL19658387 0.87 ACHE (0.59) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL19652286 0.86 SLC6A4 (0.49) ACHE
SCHEMBL19652159 0.86 ACHE (0.60) ACHE
SCHEMBL17754050 0.82 ALDH1A1 (0.57) SIGMAR1ACHEDRD2DRD4ALDH1A1
SCHEMBL19652185 0.81 ATM (0.53) SIGMAR1ACHEDRD2DRD4CACNA1G
SCHEMBL18768615 0.77 ATM (0.49) SIGMAR1ACHEDRD2DRD4
SCHEMBL19658607 0.76 CXCR4 (0.56) DRD2DRD4ALDH1A1
SCHEMBL12513635 0.75 ALDH1A1 (0.62) CYP2D6CYP2C9ALOX15TSHRCYP2C19
SCHEMBL30110496 0.75 ACHE (0.66) 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 CYP2D6 3694/4885CYP2C9 4277/4885ALOX15 3565/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 CYP2D6 3694/4885CYP2C9 4277/4885ALOX15 3565/4885

“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.