Sugi Predict

Sugi Predict / Compounds / SCHEMBL2211646

SCHEMBL2211646

SCHEMBL2211646

O=C(c1cc2cccnc2[nH]1)N1CCC2(C=Cc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ DRD2 P14416 3/20 0.48
▸ DRD3 P35462 3/20 0.48
▸ HSD11B1 P28845 1/20 0.45
▸ MCHR2 Q969V1 1/20 0.45
▸ MAPT P10636 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NPC1L1 Q9UHC9 1/20 0.43
▸ SCN9A Q15858 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43

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
SCHEMBL2215759 0.77 HRH4 (0.57) HRH4HRH3DRD2DRD3HSD11B1
SCHEMBL857770 0.76 HRH4 (0.76) HRH4HRH3DRD2DRD3MAPT
SCHEMBL3839355 0.74 MCHR2 (0.61) HSD11B1MCHR2MAPTLMNANPC1L1
SCHEMBL395086 0.72 HSD11B1 (0.64) HSD11B1MCHR2NPC1L1
SCHEMBL738652 0.69 MCHR2 (0.54) HSD11B1MCHR2MAPTLMNANPC1L1
SCHEMBL4227779 0.69 HRH4 (0.51) HRH4HRH3DRD2DRD3HSD11B1
SCHEMBL16118464 0.69 HRH4 (0.60) HRH4HRH3DRD2DRD3MAPT
SCHEMBL3837633 0.68 MCHR2 (0.60) HSD11B1MCHR2NPC1L1
SCHEMBL26487842 0.68 DRD3 (0.74) HRH4HRH3DRD2DRD3MAPT
SCHEMBL30374637 0.68 DRD3 (0.74) HRH4HRH3DRD2DRD3MAPT

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501432-B2 Spiro-piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-10 — — US claimed
US-20080167333-A1 NEW SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-07-10 — — US claimed
EP-2125726-B1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 — — EP disclosed
EP-2125726-B1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 — — EP disclosed
US-7678806-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-7678806-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-7678806-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
EP-2125726-A1 SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-02 — — EP disclosed
US-7501432-B2 Spiro-piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
US-7501432-B2 Spiro-piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
US-7501432-B2 Spiro-piperidine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-03-10 — — US disclosed
US-20080280898-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-11-13 — — US disclosed
US-20080167333-A1 NEW SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-07-10 — — US disclosed
US-20080167333-A1 NEW SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-07-10 — — US disclosed
US-20080167333-A1 NEW SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2008-07-10 — — US disclosed
US-20080161304-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161304-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
US-20080161304-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-07-03 — — US disclosed
WO-2008077811-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — WO disclosed
WO-2008077811-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 — — 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 (3 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-20080161304-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A HRH4 241/4885HRH3 433/4885DRD2 16/4885
US-20080167333-A1 NEW SOLID FORMS OF [4-(3-FLUORO-5-TRIFLUOROMETHYL-PYRIDIN-2-YL)-PIPERAZIN-1-YL-[5-METHANESULFONYL-2-((S)-2,2,2-TRIFLUORO-1-METHYL-ETHOXY)-PHENYL]-METHANONE HTR1A, HTR5A, ADRA1A HRH4 151/4885HRH3 340/4885DRD2 59/4885
US-20080280898-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A HRH4 241/4885HRH3 433/4885DRD2 16/4885

“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.