SCHEMBL6411735

SCHEMBL6411735

CC1CCN(C(=O)C(C)N2C(=O)c3ccccc3C(C(=O)NCc3ccccc3)C2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
CCR2 P41597 4/20 0.41
TACR1 P25103 4/20 0.40
MTTP P55157 1/20 0.39
KCNH2 Q12809 5/20 0.38
SCN9A Q15858 5/20 0.38
CCR1 P32246 1/20 0.38
SCN5A Q14524 4/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL6411908 0.91 KCNA5 (0.43) KCNA5CCR2TACR1KCNH2SCN9A
SCHEMBL6411734 0.83 CCR2 (0.41) CCR2TACR1KCNH2SCN9ASCN5A
SCHEMBL6418317 0.81 MAPK1 (0.45) TACR1HSD17B10TSHRNPSR1
SCHEMBL6418322 0.79 HSD17B10 (0.55) KCNA5TACR1KCNH2SCN9ASCN5A
SCHEMBL6416211 0.77 KMT2A (0.42) KCNA5CCR2KCNH2SCN9ASCN5A
SCHEMBL6413158 0.76 SCN9A (0.41) CCR2TACR1KCNH2SCN9ASCN5A
SCHEMBL6417894 0.75 UBE2M (0.46) TACR1
SCHEMBL6417356 0.74 DRD2 (0.46) CCR2TACR1
SCHEMBL6418274 0.74 MAPK1 (0.51) HSD17B10TSHRNPSR1
SCHEMBL6411904 0.73 SCN9A (0.41) CCR2TACR1KCNH2SCN9ASCN5A

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 KCNA5 4622/4885CCR2 2916/4885TACR1 4639/4885

“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.