SCHEMBL630683

SCHEMBL630683

O=C1Nc2ccc(F)cc2C2(CCN(CCC(C(=O)NCc3ccc(Cl)cc3Cl)c3ccc(Cl)c(Cl)c3)CC2)O1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 7/20 0.52
TACR1 P25103 6/20 0.48
CCR2 P41597 9/20 0.40
PLD2 O14939 2/20 0.39
PLD1 Q13393 2/20 0.39
P2RX7 Q99572 2/20 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
SCHEMBL630682 1.00 TACR3 (0.52) TACR3TACR1CCR2PLD2PLD1
SCHEMBL631968 0.96 TACR3 (0.48) TACR3TACR1CCR2PLD2PLD1
SCHEMBL631969 0.96 TACR3 (0.48) TACR3TACR1CCR2PLD2PLD1
SCHEMBL631161 0.95 TACR3 (0.46) TACR3TACR1CCR2PLD2PLD1
SCHEMBL631160 0.95 TACR3 (0.46) TACR3TACR1CCR2PLD2PLD1
SCHEMBL8185526 0.93 TACR3 (0.51) TACR3TACR1CCR2
SCHEMBL631567 0.91 TACR3 (0.57) TACR3TACR1CCR2PLD2PLD1
SCHEMBL632085 0.90 TACR3 (0.53) TACR3TACR1CCR2PLD2PLD1
SCHEMBL632423 0.88 TACR1 (0.54) TACR3TACR1CCR2PLD2PLD1
SCHEMBL631093 0.87 TACR3 (0.52) TACR3TACR1CCR2PLD2PLD1

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 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.