SCHEMBL6920101

SCHEMBL6920101

CN1C2CCC1c1c(n(CC(=O)c3ccc(F)cc3)c3ccc(Cl)cc13)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
DRD2 P14416 6/20 0.42
DRD4 P21917 4/20 0.42
HTR6 P50406 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CXCR3 P49682 2/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL6921361 0.94 HTR6 (0.43) IDO1HTR6PTGDR2CXCR3KCNH2
SCHEMBL6921359 0.90 HTR6 (0.48) HTR6SIGMAR1PTGDR2CXCR3
SCHEMBL6920103 0.89 HTR6 (0.41) DRD2DRD4HTR6SIGMAR1DRD3
SCHEMBL1082513 0.85 BAZ2B (0.48) HTR6PTGDR2
SCHEMBL13394722 0.83 SIGMAR1 (0.46) DRD2HTR6SIGMAR1HTR1AHTR2A
SCHEMBL13394681 0.82 HTR6 (0.43) HTR6SIGMAR1PTGDR2KCNH2
SCHEMBL1081265 0.81 BAZ2B (0.50) HTR6SIGMAR1PTGDR2
SCHEMBL6921380 0.81 HTR6 (0.36) DRD2HTR6SLC6A4SLC6A3
SCHEMBL18399391 0.81 HTR6 (0.39) HTR6SIGMAR1KCNH2
SCHEMBL13394683 0.80 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 IDO1 166/4885DRD2 26/4885DRD4 47/4885
US-20130172366-A1 BRIDGED HETEROCYCLIC COMPOUNDS AND METHODS OF USE HRH4, HNMT, HTR2C IDO1 166/4885DRD2 26/4885DRD4 47/4885

“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.