SCHEMBL6417356

SCHEMBL6417356

CC(C(N)=O)N1C(=O)c2ccccc2C(C(=O)NC2CCN(Cc3ccccc3)C2)C1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
CCR2 P41597 5/20 0.43
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
SIGMAR1 Q99720 4/20 0.41
TACR1 P25103 2/20 0.41
TACR2 P21452 1/20 0.41
TEAD1 P28347 1/20 0.40
BACE1 P56817 2/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
MCHR1 Q99705 1/20 0.39
MC4R P32245 1/20 0.38

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
SCHEMBL6417894 0.96 UBE2M (0.46) DRD2DRD4UBE2MDCUN1D1SIGMAR1
SCHEMBL6417353 0.85 DRD2 (0.47) DRD2DRD4CCR2UBE2MDCUN1D1
SCHEMBL6417889 0.81 UBE2M (0.47) DRD2DRD4UBE2MDCUN1D1SIGMAR1
SCHEMBL6418310 0.80 GAA (0.35) TACR1
SCHEMBL6410694 0.77 TSHR (0.58) MCHR1
SCHEMBL3754038 0.76 DRD4 (0.55) DRD2DRD4CCR2UBE2MDCUN1D1
SCHEMBL6410223 0.76 ALDH1A1 (0.42)
SCHEMBL6410783 0.75 ALDH1A1 (0.41) TACR1
SCHEMBL6411908 0.73 KCNA5 (0.43) CCR2TACR1
SCHEMBL6413424 0.72 MAPT (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US claimed
WO-2004004727-A1 3,4-DIHYDROISOQUINOLIN-1-ONE DERIVATIVES AS INDUCERS OF APOPTOSIS AXYS PHARMACEUTICALS, INC. (US) 2004-01-15 WO 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-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis CASP3, BAX, BAD DRD2 2564/4885DRD4 976/4885CCR2 2916/4885

“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.