SCHEMBL4396753

SCHEMBL4396753

CCCC([O])N1CCN(C)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
DRD3 P35462 2/20 0.32
HTR1A P08908 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
DRD1 P21728 1/20 0.32
ADRA1D P25100 1/20 0.32
OPRM1 P35372 1/20 0.32
HTR2B P41595 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL4397694 0.83 DRD2 (0.36) DRD3USP2TSHR
SCHEMBL6686417 0.81 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4
SCHEMBL2748230 0.81 HTR1A (0.34) SLC6A3CHRM1CHRM3HTR2AHTR2C
SCHEMBL4389412 0.80 KDM4E (0.33) CYP2D6KDM4EALDH1A1USP2CYP3A4
SCHEMBL4401343 0.79 USP2 (0.44) HTR2AHTR2CDRD3HTR1AOPRM1
SCHEMBL6539305 0.79 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4
SCHEMBL16972740 0.76 CHRM2 (0.34) SLC6A3CHRM1CHRM3HTR2AHTR2C
SCHEMBL3587428 0.76 MC4R (0.40) SLC6A3CHRM1CHRM3HTR2AHTR2C
SCHEMBL2086387 0.76 TSHR (0.42) KCNH2ALDH1A1USP2TSHRCYP3A4
SCHEMBL7145610 0.76 SIGMAR1 (0.39) SLC6A3CHRM3CHRM5OPRM1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047584-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO claimed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 SLC6A3 604/4885CHRM1 179/4885CHRM3 107/4885

“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.