SCHEMBL1872899

SCHEMBL1872899

CCCN(C)CC1COc2c(F)cc(F)cc2O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CA2 P00918 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
ALOX5 P09917 4/20 0.31
GLA P06280 1/20 0.30

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 0.90 LMNA (0.36) HPGDCA2GAAMEN1LMNA
SCHEMBL1878741 0.88 TP53 (0.35) TP53HPGDCA2GAAMEN1
SCHEMBL1877751 0.86 LMNA (0.34) TP53HPGDCA2GAAMEN1
SCHEMBL1880437 0.85 HPGD (0.37) HPGDCA2GAAMEN1LMNA
SCHEMBL1869685 0.84 LMNA (0.37) TP53HPGDCA2GAAMEN1
SCHEMBL1885770 0.83 CA2 (0.36) HPGDCA2LMNASMN1; SMN2
SCHEMBL1873324 0.75 POLB (0.54) CA2MEN1KMT2ASMN1; SMN2ADRA1D
SCHEMBL15864983 0.75 HTR1A (0.40) HPGDCA2ALOX5
SCHEMBL1044349 0.75 HTR1A (0.40) HPGDCA2ALOX5
SCHEMBL1879143 0.75 CA2 (0.42) HPGDCA2SMN1; SMN2ADRA1DADRA1A

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 TP53 4883/4885HPGD 494/4885CA2 3728/4885

“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.