SCHEMBL17163608

SCHEMBL17163608

CN1[C@@H]2CC[C@H]1C[C@@H](NC(=O)c1cn(S(C)(=O)=O)c3ccccc13)C2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 17/20 1.00
HTR3E A5X5Y0 3/20 0.59
HTR3B O95264 3/20 0.59
HTR3D Q70Z44 3/20 0.59
HTR3C Q8WXA8 3/20 0.59
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL17163606 1.00 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17163244 0.85 HTR3A (1.00) HTR3A
SCHEMBL17163242 0.85 HTR3A (1.00) HTR3A
SCHEMBL17163553 0.84 HTR3A (0.73) HTR3A
SCHEMBL17163494 0.81 HTR3A (1.00) HTR3A
SCHEMBL17163492 0.81 HTR3A (1.00) HTR3A
SCHEMBL17163630 0.81 HTR3A (1.00) HTR3A
SCHEMBL17163629 0.81 HTR3A (1.00) HTR3A
SCHEMBL10388774 0.81 HTR3A (0.67) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL17163692 0.80 HTR3A (1.00) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS TAKEDA CALIFORNIA, INC. 2018-03-15 US claimed
US-20160185801-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL (JP) 2016-06-30 US claimed
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-15 US claimed
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 1/4885HTR3E 6/4885HTR3B 3/4885
US-20150291624-A1 5-HT3 RECEPTOR ANTAGONISTS HTR3A, HTR5A, HTR3B HTR3A 1/4885HTR3E 6/4885HTR3B 3/4885
US-20180072758-A1 5HT3 RECEPTOR ANTAGONISTS HTR3A, HTR3B, HTR5A HTR3A 1/4885HTR3E 6/4885HTR3B 2/4885

“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.