SCHEMBL631986

SCHEMBL631986

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

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.48
TACR1 P25103 12/20 0.48
FPR3 P25089 1/20 0.40
FPR2 P25090 1/20 0.40
CCR2 P41597 6/20 0.39

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
SCHEMBL631987 1.00 TACR3 (0.48) TACR3TACR1FPR3FPR2CCR2
SCHEMBL631247 0.96 TACR3 (0.47) TACR3TACR1FPR3FPR2CCR2
SCHEMBL631248 0.96 TACR3 (0.47) TACR3TACR1FPR3FPR2CCR2
SCHEMBL633093 0.94 TACR3 (0.47) TACR3TACR1CCR2
SCHEMBL633092 0.94 TACR3 (0.47) TACR3TACR1CCR2
SCHEMBL631475 0.91 TACR3 (0.46) TACR3TACR1CCR2
SCHEMBL631569 0.91 TACR3 (0.46) TACR3TACR1CCR2
SCHEMBL4999574 0.89 CCR2 (0.48) TACR1FPR3FPR2CCR2
SCHEMBL4999578 0.89 CCR2 (0.48) TACR1FPR3FPR2CCR2
SCHEMBL632023 0.89 TACR3 (0.49) 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 7 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 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 28/4885TACR1 6/4885FPR3 1344/4885

“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.