SCHEMBL19346255

SCHEMBL19346255

CCC(=O)c1cn(-c2ccccn2)c2ncc(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.57
KCNH2 Q12809 1/20 0.40
SPR P35270 3/20 0.40
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL15444671 0.88 HTR3A (0.61) HTR3AKCNH2SPRRXFP1POLB
SCHEMBL15420903 0.86 HTR3A (0.58) HTR3ASPRPOLBGAATSHR
SCHEMBL15441071 0.84 HTR3A (0.59) HTR3AKCNH2SPRPOLBGAA
SCHEMBL19346266 0.82 HTR3A (0.57) HTR3AKCNH2POLB
SCHEMBL20080348 0.77 KMT2A (0.52) HTR3APOLBTSHRKMT2A
SCHEMBL15420794 0.73 HTR3A (1.00) HTR3A
SCHEMBL15420793 0.73 HTR3A (1.00) HTR3A
SCHEMBL19970010 0.72 HTR3A (0.56) HTR3AKCNH2KMT2A
SCHEMBL19969991 0.71 HTR3A (0.56) HTR3AKCNH2KMT2A
SCHEMBL15444713 0.71 HTR3A (0.60) HTR3AKCNH2KMT2A

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-10407443-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-09-10 US disclosed
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS ENVOY THERAPEUTICS, INC. 2017-09-14 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-10407443-B2 5-HT3 receptor antagonists HTR3A, HTR3B, HTR5A HTR3A 1/4885KCNH2 1139/4885SPR 1598/4885
US-20170260201-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885KCNH2 1139/4885SPR 1598/4885

“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.