SCHEMBL3178650

SCHEMBL3178650

O=C(c1csc2ccccc12)C1CCc2nc[nH]c2C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.61
ADRA2A P08913 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
SLC6A4 P31645 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
KCNH2 Q12809 1/20 0.61
HTR3E A5X5Y0 1/20 0.61
HTR3B O95264 1/20 0.61
HTR3D Q70Z44 1/20 0.61
HTR3C Q8WXA8 1/20 0.61
ADRA1A P35348 6/20 0.43
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
Fumaric Acid SCHEMBL9052012 0.94 HTR3A (0.56) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL3178647 0.91 HTR3A (0.51) HTR3AADRA2AADRA2BADRA2CSLC6A4
Fumaric Acid SCHEMBL9051124 0.86 HTR3A (0.46) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6851382 0.81 HTR3A (0.65) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL9050458 0.80 HTR3A (0.64) HTR3AADRA2AADRA2BADRA2CSLC6A4
SCHEMBL6850907 0.77 HTR3A (0.60) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL9048400 0.76 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL3865249 0.76 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL1649718 0.76 HTR3A (1.00) HTR3AADRA2AADRA2BADRA2CSLC6A4
Ramosetron SCHEMBL8544326 0.75 HTR3A (0.98) HTR3AADRA2AADRA2BADRA2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652052-B2 Process for producing ramosetron or its salt ASTELLAS PHARMA INC. (JP) 2010-01-26 US disclosed
US-20090069570-A1 Novel Process for Producing Ramosetron or Its Salt ASTELLAS PHARMA INC. (JP) 2009-03-12 US disclosed
EP-1870408-A1 NOVEL PROCESS FOR PRODUCING RAMOSETRON OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-26 EP disclosed
EP-0381422-B1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-10-23 EP disclosed
US-5496942-A 5-HT3-RECEPTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
US-5344927-A 5-HT3 antagonist YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
EP-0381422-A1 Tetrahydrobenzimidazole derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-08 EP 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-20090069570-A1 Novel Process for Producing Ramosetron or Its Salt SI, VIP, HTR1D HTR3A 101/4885ADRA2A 317/4885ADRA2B 270/4885

“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.