SCHEMBL3176458

SCHEMBL3176458

O=C(O)[C@@H]1CCc2[nH]cnc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 4/20 0.42
HTR3A P46098 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDK1 Q15118 1/20 0.38
CYP1A2 P05177 1/20 0.35
GABRP O00591 2/20 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
SCHEMBL3176454 1.00 ADRA1A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3184832 0.98 ADRA1A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3184840 0.98 ADRA1A (0.41) ADRA1AHTR3AADRA2AADRA2BADRA2C
Sulfuric Acid SCHEMBL7331483 0.94 ADRA1A (0.38) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL6851022 0.87 ADRA1A (0.53) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL13531389 0.85 HTR3A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL3185647 0.85 ADRA1A (0.40) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL13531413 0.85 HTR3A (0.42) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL7332677 0.85 HTR3A (0.39) ADRA1AHTR3AADRA2AADRA2BADRA2C
SCHEMBL3185643 0.85 ADRA1A (0.40) ADRA1AHTR3AADRA2AADRA2BADRA2C

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 6 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 claimed
US-20090069570-A1 Novel Process for Producing Ramosetron or Its Salt ASTELLAS PHARMA INC. (JP) 2009-03-12 US claimed
EP-1870408-A1 NOVEL PROCESS FOR PRODUCING RAMOSETRON OR ITS SALT Astellas Pharma Inc. (JP) 2007-12-26 EP claimed
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

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 ADRA1A 131/4885HTR3A 101/4885ADRA2A 317/4885

“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.