SCHEMBL2213812

SCHEMBL2213812

CC1=C(C(=O)N2CCC3(CC2)C(=O)Nc2ccc(Br)cc23)Cc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.53
▸ IP6K1 Q92551 6/20 0.44
▸ IP6K3 Q96PC2 1/20 0.44
▸ IP6K2 Q9UHH9 1/20 0.44
▸ ADRA2B P18089 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ PKM P14618 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TP53 P04637 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35

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
SCHEMBL4554348 0.88 HSD11B1 (0.57) HSD11B1IP6K1IP6K3IP6K2HTR1A
SCHEMBL3837117 0.75 IP6K1 (0.55) IP6K1IP6K3IP6K2LMNAHTR1A
SCHEMBL31430234 0.74 ADRA2B (0.50) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL2213581 0.74 ADRA2B (0.50) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL4988173 0.73 IP6K1 (0.58) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL4359077 0.73 MGAM (0.53) IP6K1IP6K3IP6K2MAPTTP53
SCHEMBL3855796 0.73 IP6K1 (0.45) IP6K1IP6K3IP6K2ADRA2BLMNA
SCHEMBL3252852 0.72 HRH4 (0.55) IP6K1IP6K3IP6K2
SCHEMBL4553174 0.72 HSD11B1 (0.39) HSD11B1LMNAMAPTALDH1A1TP53
SCHEMBL8249761 0.72 IP6K1 (0.40) IP6K1IP6K3IP6K2ADRA2BLMNA

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-7678806-B2 Spiro-piperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 — — US claimed
US-20080280898-A1 Spiro-piperidine derivatives HOFFMANN-LA ROCHE, INC. 2008-11-13 — — 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 1386/4885IP6K1 2020/4885IP6K3 2630/4885
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 1815/4885IP6K1 2814/4885IP6K3 3366/4885
US-20080280898-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A HSD11B1 1386/4885IP6K1 2020/4885IP6K3 2630/4885

“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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