SCHEMBL2615341

SCHEMBL2615341

CCCOCCN1CCN(C2=Nc3ccccc3Sc3ccc(F)cc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.69
CHRM1 P11229 3/20 0.64
DRD3 P35462 3/20 0.64
LMNA P02545 2/20 0.64
CHRM2 P08172 2/20 0.64
HTR1A P08908 2/20 0.64
ADRA2A P08913 2/20 0.64
ADRA2B P18089 2/20 0.64
ADRA2C P18825 2/20 0.64
CHRM3 P20309 2/20 0.64
DRD1 P21728 2/20 0.64
HTR2A P28223 2/20 0.64
HTR2C P28335 2/20 0.64
ADRA1A P35348 2/20 0.64
HRH1 P35367 2/20 0.64
OPRM1 P35372 2/20 0.64
HTR2B P41595 2/20 0.64
KCNH2 Q12809 2/20 0.64
DRD4 P21917 2/20 0.64
CHRM4 P08173 1/20 0.64

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
SCHEMBL2615344 1.00 DRD2 (0.69) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL2615343 0.92 DRD2 (0.57) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL13284556 0.90 DRD2 (0.80) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL12287533 0.89 DRD2 (0.80) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL12395987 0.83 DRD2 (0.67) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL13284387 0.82 DRD2 (0.67) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL14631841 0.82 DRD2 (1.00) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL8301867 0.82 DRD2 (0.76) DRD2CHRM1DRD3LMNACHRM2
Quetiapine SCHEMBL2537668 0.82 DRD2 (0.94) DRD2CHRM1DRD3LMNACHRM2
SCHEMBL2615342 0.81 DRD2 (0.80) DRD2CHRM1DRD3LMNACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2012-04-19 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 (1 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-20120095217-A1 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF FLI1, CDC73, FOS DRD2 2857/4885CHRM1 4388/4885DRD3 2836/4885

“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.