SCHEMBL17176249

SCHEMBL17176249

CC(=O)c1cn(CC(F)(F)F)c2ncccc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 8/20 0.60
ATM Q13315 1/20 0.52
CNR1 P21554 7/20 0.45
CNR2 P34972 7/20 0.45
CFD P00746 2/20 0.42

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
SCHEMBL17176644 0.90 HTR3A (0.59) HTR3AATMCNR1CNR2
SCHEMBL17324756 0.89 HTR3A (0.49) HTR3AATMCNR1CNR2
SCHEMBL19068184 0.88 HTR3A (0.57) HTR3AATMCNR1CNR2
SCHEMBL17170603 0.87 HTR3A (0.59) HTR3AATMCNR1CNR2
SCHEMBL2546290 0.85 CNR1 (0.51) HTR3AATMCNR1CNR2
SCHEMBL17176431 0.83 HTR3A (0.56) HTR3AATMCNR1CNR2
SCHEMBL1825003 0.81 HTR3A (0.54) HTR3AATMCNR1CNR2
SCHEMBL17176262 0.81 HTR3A (0.62) HTR3AATMCNR1CNR2
SCHEMBL12480238 0.80 CREBBP (0.49) ATMCNR1CNR2CFD
SCHEMBL17176383 0.80 CREBBP (0.62) HTR3A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US disclosed
US-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US disclosed
US-9303045-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-05 US disclosed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 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 (3 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-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885ATM 2287/4885CNR1 37/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885ATM 2287/4885CNR1 37/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885ATM 2202/4885CNR1 37/4885

“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.