SCHEMBL631473

SCHEMBL631473

CN1C(=O)OC2(CCN(CCC(C(=O)NCc3ccc(S(C)(=O)=O)cc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 18/20 0.66
TACR1 P25103 17/20 0.60
CCR2 P41597 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
SCHEMBL631404 0.94 TACR3 (0.71) TACR3TACR1CCR2
SCHEMBL631395 0.92 TACR3 (0.76) TACR3TACR1CCR2
SCHEMBL631626 0.92 TACR3 (0.69) TACR3TACR1CCR2
SCHEMBL632152 0.91 TACR3 (0.70) TACR3TACR1CCR2
SCHEMBL631544 0.90 TACR3 (0.66) TACR3TACR1CCR2
SCHEMBL631336 0.89 TACR3 (0.66) TACR3TACR1CCR2
SCHEMBL631708 0.88 TACR3 (0.64) TACR3TACR1CCR2
SCHEMBL631174 0.88 TACR3 (0.64) TACR3TACR1CCR2
SCHEMBL5002837 0.88 TACR3 (0.50) TACR3TACR1CCR2
SCHEMBL632756 0.86 TACR3 (0.69) TACR3TACR1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP claimed
EP-2099806-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-09-16 EP claimed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US claimed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US claimed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO claimed
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
CN-101622259-B spiropiperidine derivatives as NK3 antagonists F. HOFFMANN-LA ROCHE AG (CH) 2012-02-01 CN disclosed
EP-2099806-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-09-16 EP disclosed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US disclosed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US disclosed
US-7470684-B2 Spiropiperidine derivatives as NK3 antagonists HOFFMANN-LA ROCHE INC. (US) 2008-12-30 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO 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-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS ADRB3, KCNK3, KCND3 TACR3 28/4885TACR1 6/4885CCR2 862/4885

“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.