SCHEMBL2212186

SCHEMBL2212186

CC1=C(C(=O)N2CCC3(C=Cc4ccccc43)CC2)Cc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.55
▸ NR1H2 P55055 1/20 0.50
▸ NR1H3 Q13133 1/20 0.50
▸ MCHR2 Q969V1 2/20 0.48
▸ OXTR P30559 1/20 0.46
▸ NPC1L1 Q9UHC9 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
SCHEMBL395086 0.75 HSD11B1 (0.64) HSD11B1NR1H2NR1H3MCHR2OXTR
SCHEMBL4554348 0.75 HSD11B1 (0.57) HSD11B1
SCHEMBL762618 0.71 MCHR2 (0.58) HSD11B1NR1H2NR1H3MCHR2OXTR
SCHEMBL4984631 0.71 MCHR2 (0.60) HSD11B1MCHR2NPC1L1
SCHEMBL8472020 0.70 OXTR (0.57) HSD11B1MCHR2OXTR
SCHEMBL4357451 0.70 MCHR2 (0.52) HSD11B1MCHR2OXTRNPC1L1
SCHEMBL3839355 0.70 MCHR2 (0.61) HSD11B1MCHR2NPC1L1
SCHEMBL2212218 0.70 HSD11B1 (0.47) HSD11B1
SCHEMBL12511832 0.70 HSD11B1 (0.47) HSD11B1
SCHEMBL8182388 0.70 HSD11B1 (0.47) HSD11B1

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 HSD11B1 1386/4885NR1H2 536/4885NR1H3 645/4885
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 HSD11B1 1815/4885NR1H2 495/4885NR1H3 699/4885
US-20080280898-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A HSD11B1 1386/4885NR1H2 536/4885NR1H3 645/4885

“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.

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