SCHEMBL6414378

SCHEMBL6414378

O=C1NC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(C(=O)NCC2CC2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.41
TACR1 P25103 2/20 0.38
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
F2 P00734 3/20 0.36
PTGIR P43119 1/20 0.35
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
F11 P03951 1/20 0.34
CHRM4 P08173 1/20 0.34
CCR2 P41597 2/20 0.33
MTTP P55157 2/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6415621 0.95 P2RX7 (0.39) CYP2C19TACR1
SCHEMBL6418985 0.85 TACR1 (0.44) TACR1KCNH2CCR2
SCHEMBL6411515 0.83 TSHR (0.40) TACR1
SCHEMBL6415618 0.83 HTT (0.40) CYP2C19KCNH2CACNA1ICCR2MTTP
SCHEMBL6417317 0.82 MAPT (0.47) TACR1
SCHEMBL6411682 0.81 PKM (0.47) CYP2C19TACR1
SCHEMBL6412811 0.81 NPC1 (0.47) HSD17B10
SCHEMBL6410860 0.81 TACR1 (0.38) TACR1HSD17B10
SCHEMBL6410861 0.81 TACR1 (0.38) TACR1HSD17B10
SCHEMBL6664525 0.81 TACR1 (0.38) TACR1HSD17B10

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 4 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 claimed
US-20050124614-A1 3,4-Dihydroisoquinolin-1-one derivatives as inducers of apoptosis AXYS PHARMACEUTICALS, INC. (US) 2005-06-09 US disclosed
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 CYP2C19 2303/4885TACR1 4639/4885LIPC 2613/4885

“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.