SCHEMBL6921947

SCHEMBL6921947

CN1C2CCC1c1c(n(CC(C)(O)C(=O)OC3CCCC3)c3ccc(Cl)cc13)C2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.37
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KCNH2 Q12809 2/20 0.33
HTR3A P46098 1/20 0.33
PER2 O15055 1/20 0.33
CNR2 P34972 2/20 0.33
MCHR1 Q99705 1/20 0.32
CACNA1H O95180 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL6921169 0.79 HTR6 (0.40) HTR6MCHR1
SCHEMBL15131754 0.79 HTR6 (0.39) HTR6PER2MCHR1SIGMAR1PTGDR2
SCHEMBL1082513 0.78 BAZ2B (0.48) HTR6PTGDR2
SCHEMBL12877321 0.77 HDAC6 (0.54) HTR6PTGDR2
SCHEMBL12819460 0.77 HDAC1 (0.45) PER2PTGDR2
SCHEMBL1081265 0.77 BAZ2B (0.50) HTR6SIGMAR1PTGDR2
SCHEMBL13394726 0.77 HTR6 (0.41) HTR6CNR2MCHR1SIGMAR1
SCHEMBL15290218 0.77 CNR2 (0.52) HTR6CNR2
SCHEMBL13394691 0.76 HTR6 (0.42) HTR6CNR2
SCHEMBL13394683 0.76 CA12 (0.42) HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-9006234-B2 Bridged heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-04 US disclosed
WO-2011038164-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-03-31 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 (2 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-20130190359-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885CYP3A4 1191/4885CYP2C9 1260/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C HTR6 22/4885CYP3A4 1191/4885CYP2C9 1260/4885

“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.