SCHEMBL19969879

SCHEMBL19969879

CCC(=O)c1cn(-c2cnccn2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.54
KMT2A Q03164 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.45
MEN1 O00255 5/20 0.44
POLB P06746 1/20 0.41
MITF O75030 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL20080348 0.86 KMT2A (0.52) HTR3AKMT2AL3MBTL1TSHRMEN1
SCHEMBL17176399 0.86 HTR3A (0.57) HTR3AKMT2ATSHRALDH1A1LMNA
SCHEMBL15557435 0.84 HTR3A (0.56) HTR3A
SCHEMBL4355585 0.83 HTR3A (0.55) HTR3AL3MBTL1TSHR
SCHEMBL17170671 0.82 HTR3A (0.57) HTR3AL3MBTL1TSHRALDH1A1LMNA
SCHEMBL23812548 0.82 HTR3A (0.53) HTR3AKMT2AL3MBTL1TSHRMEN1
SCHEMBL30416390 0.79 HTR3A (0.52) HTR3AKMT2AL3MBTL1TSHRMEN1
SCHEMBL23812575 0.79 KMT2A (0.53) HTR3AKMT2AL3MBTL1TSHRMEN1
SCHEMBL30417766 0.79 HTR3A (0.51) HTR3ALMNA
SCHEMBL20080410 0.77 HTR3A (0.51) HTR3AKMT2AL3MBTL1TSHRMITF

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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 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-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KMT2A 2286/4885L3MBTL1 3876/4885

“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.