SCHEMBL2212786

SCHEMBL2212786

COc1ccc2c(c1)C1(CCN(C(=O)C3=C(C)c4ccccc4C3)CC1)OC2=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AVPR1A P37288 8/20 0.53
▸ HSD11B1 P28845 1/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ HRH3 Q9Y5N1 3/20 0.45
▸ LMNA P02545 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL2209014 0.93 AVPR1A (0.53) AVPR1AHSD11B1NPY5RHRH3LMNA
SCHEMBL4980584 0.79 AVPR1A (0.52) AVPR1ANPY5RHRH3LMNAMAPT
SCHEMBL3841668 0.76 HRH3 (0.49) AVPR1ANPY5RHRH3HPGDTP53
SCHEMBL3841971 0.76 HTR1A (0.49) AVPR1ANPY5RHRH3LMNAMAPT
SCHEMBL3840207 0.75 NPY5R (0.55) AVPR1ANPY5RHRH3ALDH1A1POLB
SCHEMBL4025618 0.74 AVPR1A (0.47) AVPR1ANPY5RHRH3LMNATHRB
SCHEMBL22058131 0.74 AVPR1A (0.55) AVPR1ANPY5RHRH3ALDH1A1HPGD
SCHEMBL4359848 0.72 AVPR1A (0.61) AVPR1AALDH1A1POLB
SCHEMBL2212218 0.72 HSD11B1 (0.47) AVPR1AHSD11B1NPY5RHRH3LMNA
SCHEMBL8182388 0.72 HSD11B1 (0.47) AVPR1AHSD11B1NPY5RHRH3LMNA

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 21 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 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
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-7495008-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
US-7495008-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-02-24 — — US disclosed
US-20080280898-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-11-13 — — US disclosed
US-20080280898-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-11-13 — — 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

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 AVPR1A 1/4885HSD11B1 1386/4885NPY5R 53/4885
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 7/4885HSD11B1 1815/4885NPY5R 21/4885
US-20080280898-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A AVPR1A 1/4885HSD11B1 1386/4885NPY5R 53/4885

“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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