SCHEMBL631608

SCHEMBL631608

O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)NCc3cccc(C(F)(F)F)c3)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 15/20 0.52
TACR1 P25103 7/20 0.48
CCR5 P51681 2/20 0.48
TACR3 P29371 5/20 0.47

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
SCHEMBL631607 1.00 CCR2 (0.52) CCR2TACR1CCR5TACR3
SCHEMBL631802 0.93 CCR2 (0.59) CCR2TACR1CCR5
SCHEMBL631801 0.93 CCR2 (0.59) CCR2TACR1CCR5
SCHEMBL13992569 0.92 TACR1 (0.47) CCR2TACR1CCR5TACR3
SCHEMBL632423 0.91 TACR1 (0.54) CCR2TACR1CCR5TACR3
SCHEMBL631569 0.90 TACR3 (0.46) CCR2TACR1CCR5TACR3
SCHEMBL631475 0.90 TACR3 (0.46) CCR2TACR1CCR5TACR3
SCHEMBL632085 0.90 TACR3 (0.53) CCR2TACR1CCR5TACR3
SCHEMBL631247 0.89 TACR3 (0.47) CCR2TACR1CCR5TACR3
SCHEMBL631248 0.89 TACR3 (0.47) CCR2TACR1CCR5TACR3

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
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-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 CCR2 862/4885TACR1 6/4885CCR5 1293/4885

“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.