SCHEMBL9909907

SCHEMBL9909907

CN1CCC(C2CC2CCO)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.33
GNAO1 P09471 3/20 0.33
GNAI1 P63096 3/20 0.33
NCF1 P14598 1/20 0.33

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
SCHEMBL15490079 1.00 GNAI3 (0.33) GNAI3GNAO1GNAI1NCF1
SCHEMBL17126993 1.00 GNAI3 (0.33) GNAI3GNAO1GNAI1NCF1
SCHEMBL17127013 0.84 NCF1 (0.35) GNAI3GNAO1GNAI1NCF1
SCHEMBL15706638 0.84 NCF1 (0.35) GNAI3GNAO1GNAI1NCF1
SCHEMBL17126989 0.84 NCF1 (0.35) GNAI3GNAO1GNAI1NCF1
SCHEMBL15490082 0.82 GNAI3 (0.42) GNAI3GNAO1GNAI1NCF1
SCHEMBL9909914 0.82 GNAI3 (0.42) GNAI3GNAO1GNAI1NCF1
SCHEMBL12987974 0.81
SCHEMBL19722616 0.81
SCHEMBL14970376 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9018224-B2 Substituted cyclopropyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-9018200-B2 Substituted piperidinyl compounds useful as GPR119 agonists MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-8957062-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2015-02-17 US disclosed
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME LLC 2014-11-06 US disclosed
US-20140296202-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS MERCK SHARP & DOHME CORP. (US) 2014-10-02 US disclosed
US-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME CORP. (US) 2014-02-27 US disclosed
US-8343990-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-01-01 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2011-02-03 US 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 (5 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-20140057893-A1 SUBSTITUTED CYCLOPROPLY COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR139, GPR27 GNAI3 272/4885GNAO1 282/4885GNAI1 202/4885
US-20140296202-A1 SUBSTITUTED PIPERIDINYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GPR139 GNAI3 158/4885GNAO1 220/4885GNAI1 90/4885
US-20110028501-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GPR139 GNAI3 195/4885GNAO1 132/4885GNAI1 134/4885
US-20140329798-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS USEFUL AS GPR119 AGONISTS GPR119, GPR27, GCGR GNAI3 202/4885GNAO1 199/4885GNAI1 169/4885
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR GNAI3 203/4885GNAO1 160/4885GNAI1 128/4885

“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.