SCHEMBL8558010

SCHEMBL8558010

NC1(CO)CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.41
KCNH2 Q12809 3/20 0.41
SIGMAR1 Q99720 1/20 0.38
ADRA2A P08913 1/20 0.38
S1PR5 Q9H228 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 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
SCHEMBL75787 0.86 KDM1A (0.39) MAOAMAOB
SCHEMBL8556517 0.82 SIGMAR1 (0.39) SIGMAR1ADRA2AMAOAMAOB
SCHEMBL8554610 0.82 SIGMAR1 (0.39) SIGMAR1ADRA2AMAOAMAOB
SCHEMBL5326427 0.79 MME (0.38) SIGMAR1MAOAMAOB
SCHEMBL7918041 0.78 S1PR1 (0.48) S1PR1KCNH2S1PR5
SCHEMBL21899583 0.78 S1PR1 (0.46) S1PR1KCNH2S1PR5
SCHEMBL16605576 0.78 S1PR1 (0.43) S1PR1KCNH2S1PR5
SCHEMBL7919829 0.78 S1PR1 (0.46) S1PR1KCNH2S1PR5
SCHEMBL9583897 0.77 SIGMAR1 (0.39) SIGMAR1ADRA2AMAOAMAOB
SCHEMBL7923890 0.76 S1PR1 (0.35) S1PR1KCNH2S1PR5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315492-B2 Heterocyclic group contained amino-methanol derivative, and salt, synthetic method and use thereof BEIJING FORELAND BIOPHARMA CO., LTD. (CN) 2016-04-19 US disclosed
CN-104583187-A Heterocyclic group-containing amino methanol derivative and salt thereof, and synthesis method and application thereof BEIJING FORELAND BIOPHARMA CO LTD 2015-04-29 CN disclosed
US-20150094337-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF BEIJING FORELAND BIOPHARMA CO., LTD. (CN) 2015-04-02 US disclosed
US-8569312-B2 Biaryl-spiroaminooxzaoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2013-08-29 US disclosed
US-8476274-B2 Biaryl spiroaminooxazoline analogues as Alpha2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2013-07-02 US disclosed
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP (US) 2013-02-21 US disclosed
US-8324213-B2 Biaryl-spiroaminooxazoline analogues as alpha 2C adrenergic receptor modulators MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-10-13 US disclosed
EP-0635497-B1 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them ADIR (FR) 1998-05-20 EP disclosed
EP-0635497-A2 Benzospiroalkene derivatives, process for their preparation and pharmaceutical compostions containing them ADIR ET COMPAGNIE (FR) 1995-01-25 EP 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 (4 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-20150094337-A1 HETEROCYCLIC GROUP CONTAINED AMINO-METHANOL DERIVATIVE, AND SALT, SYNTHETIC METHOD AND USE THEREOF SSB, HLA-DRB1, MYD88 S1PR1 482/4885KCNH2 2295/4885SIGMAR1 2520/4885
US-20130225582-A1 BIARYL-SPIROAMINOOXZAOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A S1PR1 401/4885KCNH2 884/4885SIGMAR1 111/4885
US-20130045914-A1 BIARYL SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRA2A S1PR1 468/4885KCNH2 1142/4885SIGMAR1 136/4885
US-20110251207-A1 BIARYL-SPIROAMINOOXAZOLINE ANALOGUES AS ALPHA 2C ADRENERGIC RECEPTOR MODULATORS ADRA2C, ADRB2, ADRB3 S1PR1 402/4885KCNH2 1348/4885SIGMAR1 108/4885

“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.