SCHEMBL1880437

SCHEMBL1880437

CN(C)CC1COc2c(F)cc(F)cc2O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
CA2 P00918 3/20 0.36
HTR2C P28335 8/20 0.36
HTR2A P28223 6/20 0.36
DRD2 P14416 6/20 0.36
HRH1 P35367 6/20 0.36
ADRA2A P08913 5/20 0.36
ADRA2C P18825 5/20 0.36
HTR7 P34969 5/20 0.36
DRD3 P35462 5/20 0.36
ALOX5 P09917 3/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1A P35348 1/20 0.33
DRD1 P21728 3/20 0.33
MCHR1 Q99705 3/20 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
SCHEMBL1880834 0.87 LMNA (0.36) HPGDCA2DRD2ALOX5MEN1
SCHEMBL1869685 0.87 LMNA (0.37) HPGDCA2ALOX5MEN1LMNA
SCHEMBL1872899 0.85 TP53 (0.34) HPGDCA2ALOX5MEN1LMNA
SCHEMBL1878741 0.83 TP53 (0.35) HPGDCA2HTR2CHTR2ADRD2
SCHEMBL1877751 0.81 LMNA (0.34) HPGDCA2ALOX5MEN1LMNA
SCHEMBL1884843 0.81 CA2 (0.39) HPGDCA2LMNASMN1; SMN2MCHR1
SCHEMBL1044349 0.80 HTR1A (0.40) HPGDCA2DRD2ALOX5
SCHEMBL15864983 0.80 HTR1A (0.40) HPGDCA2DRD2ALOX5
SCHEMBL1876054 0.79 CA2 (0.44) HPGDCA2DRD2DRD3ADRA1A
SCHEMBL1879143 0.77 CA2 (0.42) HPGDCA2DRD2HTR7DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US claimed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 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-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION DBH, SLC18A2, SLC6A3 HPGD 494/4885CA2 3728/4885HTR2C 81/4885

“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.