SCHEMBL1876958

SCHEMBL1876958

CCCN(C)CC1COc2cc[c]cc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
CA2 P00918 1/20 0.40
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
GBA1 P04062 3/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL1874778 0.89 ADRA1D (0.45) ADRA1DADRA1AADRA1BCA2TP53
SCHEMBL1875899 0.88 POLB (0.40) ADRA1DADRA1AADRA1BCA2TP53
SCHEMBL1872064 0.86 TP53 (0.39) ADRA1DADRA1AADRA1BCA2TP53
SCHEMBL1876029 0.85 CA2 (0.45) ADRA1DADRA1AADRA1BCA2TP53
SCHEMBL1044563 0.82 LMNA (0.40) ADRA1DADRA1AADRA1BCA2POLB
SCHEMBL1043449 0.75 POLB (0.71) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL1450868 0.74 HTT (0.39) ADRA1APOLBESR2ALOX5HSD17B10
SCHEMBL28708495 0.74 HTT (0.39) ADRA1APOLBESR2ALOX5HSD17B10
SCHEMBL1044197 0.74 POLB (0.55) ADRA1DADRA1AADRA1BPOLBESR2
SCHEMBL1078455 0.73 HTR6 (0.48) ADRA1DADRA1AADRA1BCA2POLB

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 ADRA1D 30/4885ADRA1A 45/4885ADRA1B 56/4885

“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.