SCHEMBL6410747

SCHEMBL6410747

O=C1N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](C(=O)NN2CCOCC2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.34
GAA P10253 3/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
F2R P25116 1/20 0.33
RHOA P61586 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 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
SCHEMBL6410751 1.00 TACR1 (0.37) TACR1POLBTSHRGAAHTT
SCHEMBL6679824 1.00 TACR1 (0.37) TACR1POLBTSHRGAAHTT
SCHEMBL6417610 0.85 LMNA (0.51) TACR1POLBHTTALDH1A1LMNA
SCHEMBL6411515 0.79 TSHR (0.40) TACR1TSHRGAAHTTLMNA
SCHEMBL6410860 0.78 TACR1 (0.38) TACR1ALDH1A1
SCHEMBL6410861 0.78 TACR1 (0.38) TACR1ALDH1A1
SCHEMBL6664525 0.78 TACR1 (0.38) TACR1ALDH1A1
SCHEMBL6414378 0.78 CYP2C19 (0.41) TACR1CYP2C19
SCHEMBL6418985 0.77 TACR1 (0.44) TACR1ALDH1A1LMNA
SCHEMBL6415621 0.76 P2RX7 (0.39) TACR1CYP2C19

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 1 patent. 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 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 TACR1 4639/4885POLB 2345/4885TSHR 4878/4885

“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.