Sugi Predict

Sugi Predict / Compounds / SCHEMBL632375

SCHEMBL632375

SCHEMBL632375

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR3 P29371 9/20 0.49
▸ TACR1 P25103 8/20 0.49
▸ PLD2 O14939 3/20 0.42
▸ PLD1 Q13393 3/20 0.42
▸ CCR2 P41597 3/20 0.42
▸ DRD2 P14416 3/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ DRD4 P21917 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ OPRD1 P41143 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
SCHEMBL631478 0.95 TACR3 (0.54) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631479 0.95 TACR3 (0.54) TACR3TACR1PLD2PLD1CCR2
Hydrochloric Acid SCHEMBL630985 0.94 TACR3 (0.54) TACR3TACR1PLD2PLD1CCR2
Hydrochloric Acid SCHEMBL630984 0.94 TACR3 (0.54) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631177 0.90 TACR3 (0.49) TACR3TACR1PLD2PLD1CCR2
SCHEMBL632023 0.88 TACR3 (0.49) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631835 0.87 TACR3 (0.45) TACR3TACR1PLD2PLD1CCR2
SCHEMBL632563 0.87 TACR3 (0.63) TACR3TACR1PLD2PLD1
SCHEMBL631117 0.86 TACR3 (0.67) TACR3TACR1PLD2PLD1CCR2
SCHEMBL631093 0.86 TACR3 (0.52) TACR3TACR1PLD2PLD1CCR2

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
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 — — EP disclosed
EP-2099806-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-09-16 — — 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
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 — — WO disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 — — WO 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 6/4885PLD2 1931/4885

“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.