SCHEMBL2214565

SCHEMBL2214565

Cc1ccc2[nH]c(C(=O)N3CCC4(CC3)OCc3ccccc34)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 12/20 0.52
HRH4 Q9H3N8 2/20 0.50
OXTR P30559 1/20 0.49
AVPR2 P30518 1/20 0.46
SPR P35270 1/20 0.46
HRH3 Q9Y5N1 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
SCHEMBL2212100 0.89 AVPR1A (0.61) AVPR1AHRH4OXTRAVPR2HRH3
SCHEMBL2213556 0.88 AVPR1A (0.60) AVPR1AHRH4OXTRAVPR2SPR
SCHEMBL606417 0.77 HRH4 (0.81) HRH4HRH3
SCHEMBL18889251 0.76 HRH4 (0.60) HRH4HRH3
SCHEMBL15963106 0.73 AVPR1A (0.60) AVPR1AOXTRAVPR2HRH3
SCHEMBL4357791 0.73 AVPR1A (0.64) AVPR1AOXTRAVPR2SPRHRH3
SCHEMBL3246900 0.73 KMT2A (0.64) AVPR1AHRH4OXTR
SCHEMBL3253825 0.73 AVPR1A (0.63) AVPR1AHRH4OXTRHRH3
SCHEMBL6993813 0.72 AVPR1A (0.59) AVPR1AOXTRAVPR2HRH3
SCHEMBL15963086 0.72 MGLL (0.52) AVPR1AOXTRAVPR2SPRHRH3

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-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
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 AVPR1A 1/4885HRH4 241/4885OXTR 46/4885
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 7/4885HRH4 151/4885OXTR 162/4885
US-20080280898-A1 Spiro-piperidine derivatives AVPR1A, AVPR1B, ADRA1A AVPR1A 1/4885HRH4 241/4885OXTR 46/4885

“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.