SCHEMBL631066

SCHEMBL631066

CN(CCc1ccccc1)C(=O)C(CCN1CCC2(CC1)OC(=O)Nc1ccc(F)cc12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 8/20 0.60
TACR1 P25103 10/20 0.55
CCR5 P51681 1/20 0.42
TACR2 P21452 5/20 0.41
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 1/20 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
SCHEMBL631067 1.00 TACR3 (0.60) TACR3TACR1CCR5TACR2PLD2
SCHEMBL4999262 0.96 TACR1 (0.55) TACR3TACR1CCR5TACR2PLD2
SCHEMBL8180823 0.93 TACR3 (0.58) TACR3TACR1CCR5TACR2
SCHEMBL631147 0.93 TACR3 (0.69) TACR3TACR1CCR5TACR2PLD2
SCHEMBL631881 0.93 TACR3 (0.49) TACR3TACR1PLD2PLD1TP53
Hydrochloric Acid SCHEMBL631273 0.92 TACR3 (0.68) TACR3TACR1CCR5TACR2PLD2
SCHEMBL4999387 0.90 TACR3 (0.55) TACR3TACR1TACR2PLD2PLD1
SCHEMBL4999390 0.90 TACR3 (0.55) TACR3TACR1TACR2PLD2PLD1
SCHEMBL631382 0.90 TACR3 (0.66) TACR3TACR1CCR5TACR2PLD2
SCHEMBL631383 0.90 TACR3 (0.66) TACR3TACR1CCR5TACR2PLD2

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 8 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
EP-2099806-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-09-16 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
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO 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 6/4885CCR5 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.