SCHEMBL1044563

SCHEMBL1044563

CCN(CC)CC1COc2cc[c]cc2O1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
CA2 P00918 1/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 2/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
GLA P06280 1/20 0.37
LTA4H P09960 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.35
HTT P42858 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 0.92 TP53 (0.39) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1875899 0.89 POLB (0.40) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1874778 0.87 ADRA1D (0.45) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1876029 0.85 CA2 (0.45) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1876958 0.82 ADRA1D (0.43) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL28708495 0.77 HTT (0.39) SMN1; SMN2HPGDPOLBESR2ALOX5
SCHEMBL1450868 0.77 HTT (0.39) SMN1; SMN2HPGDPOLBESR2ALOX5
SCHEMBL1044197 0.77 POLB (0.55) LMNASMN1; SMN2MEN1KMT2AHPGD
SCHEMBL1078455 0.77 HTR6 (0.48) LMNASMN1; SMN2HPGDCA2POLB
SCHEMBL12863050 0.75 CA2 (0.53) LMNASMN1; SMN2MEN1KMT2AHPGD

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 6 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
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP claimed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO claimed
US-20110105462-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2011-05-05 US disclosed
EP-2271635-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2011-01-12 EP disclosed
WO-2009133109-A1 MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2009-11-05 WO 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 LMNA 4504/4885SMN1; SMN2 689/4885MEN1 3561/4885

“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.