SCHEMBL6975824

SCHEMBL6975824

CC(C)c1noc(C2CCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
CCR5 P51681 1/20 0.43
KCNH2 Q12809 1/20 0.43
EPHX2 P34913 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CHRM4 P08173 1/20 0.38
PPARA Q07869 1/20 0.36

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
SCHEMBL10094568 0.96 CNR2 (0.47) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL10094552 0.94 NPC1 (0.47) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL9963213 0.92 CNR2 (0.49) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL15931980 0.85 CNR2 (0.45) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL13626571 0.85 CNR2 (0.45) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL1673933 0.84 NR1H4 (0.47) CNR2CCR5KCNH2EPHX2GPR119
Hydrochloric Acid SCHEMBL514637 0.82 NR1H4 (0.46) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL12050017 0.82 CNR2 (0.52) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL1128659 0.82 CNR2 (0.43) CNR2CCR5KCNH2EPHX2GPR119
SCHEMBL1227065 0.82 TLR9 (0.39) CNR2CCR5KCNH2EPHX2GPR119

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-20210276991-A1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS, INC. 2021-09-09 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-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 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-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-07-18 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20100324029-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME CORP. 2010-12-23 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 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 (6 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 CNR2 31/4885CCR5 249/4885KCNH2 2472/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 CNR2 236/4885CCR5 1162/4885KCNH2 2579/4885
US-20100324029-A1 THERAPEUTIC AGENTS PSEN2, PSEN1, BACE2 CNR2 322/4885CCR5 2450/4885KCNH2 3290/4885
US-20130184257-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR180 CNR2 92/4885CCR5 365/4885KCNH2 1686/4885
US-20210276991-A1 CARDIAC SARCOMERE INHIBITORS TNNI3, TNNT2, MYLK2 CNR2 4464/4885CCR5 4795/4885KCNH2 736/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CNR2 2350/4885CCR5 4594/4885KCNH2 3/4885

“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.