SCHEMBL19085292

SCHEMBL19085292

O=C(O)CCNC(=O)[C@H]1CC[C@@H](N2C(=O)c3ccccc3C[C@@H]2c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.42
BRS3 P32247 4/20 0.40
CNR2 P34972 2/20 0.40
P2RX7 Q99572 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
GCGR P47871 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL19085151 0.80 TP53 (0.45) KMT2AMEN1CASP6
SCHEMBL13477423 0.79 CASP6 (0.41) BRS3KMT2AMEN1CASP6
SCHEMBL13142352 0.79 BRS3 (0.61) BRS3TDP1KMT2A
SCHEMBL19085095 0.78 CASP6 (0.41) CNR1BRS3CNR2KMT2AMEN1
SCHEMBL13141519 0.76 BRS3 (0.61) CNR1BRS3P2RX7
SCHEMBL18346528 0.76 BRS3 (0.61) CNR1BRS3P2RX7
SCHEMBL13477522 0.72 GAA (0.41) BRS3KMT2AMEN1CASP6
SCHEMBL19085210 0.72 GAA (0.41) BRS3KMT2AMEN1CASP6
SCHEMBL13477499 0.71 BRS3 (0.44) CNR1BRS3CNR2
SCHEMBL13477534 0.71 MDM2 (0.49) CNR1BRS3TDP1KMT2AMEN1

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-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2018-07-10 US disclosed
US-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF SELDAR PHARMA INC. (US) 2017-07-06 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-20170189390-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 CNR1 135/4885BRS3 1/4885CNR2 74/4885
US-10016410-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof BRS3, BDKRB2, NTSR2 CNR1 135/4885BRS3 1/4885CNR2 74/4885

“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.