SCHEMBL631707

SCHEMBL631707

O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)NCc3ccccc3OC(F)(F)F)c3ccc(F)cc3)CC2)O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 18/20 0.49
TACR1 P25103 3/20 0.46
CCR5 P51681 2/20 0.46
PLD2 O14939 2/20 0.42
PLD1 Q13393 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
SCHEMBL631706 1.00 CCR2 (0.49) CCR2TACR1CCR5PLD2PLD1
SCHEMBL631849 0.93 TACR3 (0.47) CCR2TACR1CCR5PLD2PLD1
SCHEMBL631850 0.93 TACR3 (0.47) CCR2TACR1CCR5PLD2PLD1
SCHEMBL632319 0.90 TACR3 (0.47) CCR2TACR1PLD2PLD1
SCHEMBL632320 0.90 TACR3 (0.47) CCR2TACR1PLD2PLD1
SCHEMBL5008752 0.87 CCR2 (0.50) CCR2TACR1CCR5
SCHEMBL5008751 0.87 CCR2 (0.50) CCR2TACR1CCR5
SCHEMBL5003593 0.86 CCR2 (0.54) CCR2TACR1CCR5PLD2PLD1
SCHEMBL5003689 0.86 CCR2 (0.52) CCR2TACR1CCR5PLD2PLD1
SCHEMBL631802 0.83 CCR2 (0.59) CCR2TACR1CCR5

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.