SCHEMBL631459

SCHEMBL631459

O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)NCc3ccc(OC(F)(F)F)cc3)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 8/20 0.48
CCR2 P41597 11/20 0.46
TACR1 P25103 8/20 0.45
CCR5 P51681 1/20 0.41
METAP2 P50579 1/20 0.38

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
SCHEMBL631458 1.00 TACR3 (0.48) TACR3CCR2TACR1CCR5METAP2
SCHEMBL633754 0.97 TACR3 (0.46) TACR3CCR2TACR1
SCHEMBL631475 0.93 TACR3 (0.46) TACR3CCR2TACR1CCR5
SCHEMBL631569 0.93 TACR3 (0.46) TACR3CCR2TACR1CCR5
SCHEMBL632085 0.92 TACR3 (0.53) TACR3CCR2TACR1CCR5
SCHEMBL632674 0.92 TACR3 (0.51) TACR3CCR2TACR1CCR5
SCHEMBL631567 0.91 TACR3 (0.57) TACR3CCR2TACR1CCR5
SCHEMBL13994792 0.90 TACR3 (0.51) TACR3CCR2TACR1CCR5
SCHEMBL633093 0.90 TACR3 (0.47) TACR3CCR2TACR1
SCHEMBL633092 0.90 TACR3 (0.47) TACR3CCR2TACR1

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 10 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
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
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 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

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 28/4885CCR2 862/4885TACR1 6/4885

“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.