SCHEMBL4870010

SCHEMBL4870010

CN(C[C@@H](CCN1CCC(N2CCCCC2=S)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 20/20 0.73
TACR1 P25103 1/20 0.65

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
SCHEMBL6962800 1.00 TACR2 (0.73) TACR2TACR1
Hydrochloric Acid SCHEMBL9008721 0.99 TACR2 (0.72) TACR2TACR1
Hydrochloric Acid SCHEMBL9008725 0.99 TACR2 (0.72) TACR2TACR1
SCHEMBL4876940 0.92 TACR2 (0.73) TACR2
SCHEMBL4876928 0.92 TACR2 (0.73) TACR2
Hydrochloric Acid SCHEMBL9008705 0.91 TACR2 (0.72) TACR2
SCHEMBL8291341 0.89 TACR2 (0.74) TACR2
Hydrochloric Acid SCHEMBL7049392 0.89 TACR2 (0.71) TACR2TACR1
Hydrochloric Acid SCHEMBL7049396 0.89 TACR2 (0.71) TACR2TACR1
Hydrochloric Acid SCHEMBL9008693 0.89 TACR2 (0.73) TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 US claimed
US-7368461-B2 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2008-05-06 US disclosed
EP-1444220-B1 COMPOUNDS AND METHOD FOR THE TREATMENT OF OVERACTIVE BLADDER ASTRAZENECA AB (SE) 2007-02-14 EP disclosed
US-20050203113-A1 Compounds and method for the treatment of overactive bladder ASTRAZENECA AB (SE) 2005-09-15 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 (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-20050203113-A1 Compounds and method for the treatment of overactive bladder TACR1, TACR2, BDKRB1 TACR2 2/4885TACR1 1/4885

“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.