SCHEMBL1875899

SCHEMBL1875899

CCCN(CCC)CC1COc2cc[c]cc2O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ESR2 Q92731 1/20 0.40
TP53 P04637 1/20 0.40
CA2 P00918 1/20 0.39
ALOX5 P09917 2/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL1872064 0.95 TP53 (0.39) POLBESR2TP53CA2ALOX5
SCHEMBL1044563 0.89 LMNA (0.40) POLBESR2CA2ALOX5ADRA1D
SCHEMBL1876958 0.88 ADRA1D (0.43) POLBESR2TP53CA2ALOX5
SCHEMBL1876029 0.83 CA2 (0.45) POLBESR2TP53CA2ALOX5
SCHEMBL1874778 0.82 ADRA1D (0.45) POLBESR2TP53CA2ALOX5
SCHEMBL18359049 0.81 CA2 (0.56) POLBESR2TP53CA2ALOX5
SCHEMBL29516526 0.81 CA2 (0.56) POLBESR2TP53CA2ALOX5
SCHEMBL1043449 0.76 POLB (0.71) POLBESR2HTR1AADRA1DADRA1A
SCHEMBL21790169 0.76 CA2 (0.50) POLBESR2TP53CA2ALOX5
SCHEMBL28708495 0.75 HTT (0.39) POLBESR2ALOX5HTR1ADRD2

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 POLB 4159/4885ESR2 3143/4885TP53 4883/4885

“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.