SCHEMBL2212100

SCHEMBL2212100

O=C(c1nc2cc(Cl)ccc2[nH]1)N1CCC2(CC1)OCc1ccccc12

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 16/20 0.61
OXTR P30559 1/20 0.61
DGAT1 O75907 1/20 0.49
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 1/20 0.49
ALOX15 P16050 1/20 0.45
AVPR2 P30518 1/20 0.44

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
SCHEMBL2214565 0.89 AVPR1A (0.52) AVPR1AOXTRHRH4HRH3AVPR2
SCHEMBL2213556 0.88 AVPR1A (0.60) AVPR1AOXTRHRH4HRH3AVPR2
SCHEMBL3253825 0.84 AVPR1A (0.63) AVPR1AOXTRHRH4HRH3
SCHEMBL4356011 0.78 AVPR1A (0.85) AVPR1AOXTR
SCHEMBL4359452 0.76 AVPR1A (0.68) AVPR1AOXTRDGAT1AVPR2
SCHEMBL4360122 0.76 AVPR1A (1.00) AVPR1AOXTR
SCHEMBL602043 0.76 HRH4 (0.81) HRH4HRH3ALOX15
SCHEMBL3369566 0.76 HRH4 (0.59) HRH4HRH3ALOX15
SCHEMBL8193722 0.75 KMT2A (0.59) AVPR1AOXTRHRH4HRH3
SCHEMBL3246900 0.74 KMT2A (0.64) AVPR1AOXTRHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125726-B1 SPIRO-PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-07-27 EP claimed
EP-2125726-A1 SPIRO-PIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-12-02 EP claimed
US-7495008-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US claimed
US-20080161304-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-07-03 US claimed
WO-2008077811-A1 SPIRO-PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-07-03 WO 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-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 (2 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 AVPR1A 1/4885OXTR 46/4885DGAT1 4792/4885
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 AVPR1A 7/4885OXTR 162/4885DGAT1 4877/4885

“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.