SCHEMBL6523902

SCHEMBL6523902

O=C(O)N1CCOC2(C1)CN(C(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.52
ALDH1A1 P00352 6/20 0.51
KMT2A Q03164 3/20 0.49
CYP2D6 P10635 9/20 0.47
CYP2C9 P11712 7/20 0.47
CYP2C19 P33261 3/20 0.46
USP2 O75604 5/20 0.45
TSHR P16473 5/20 0.45
CYP1A2 P05177 4/20 0.45
HIF1A Q16665 2/20 0.45
MAOB P27338 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43

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
SCHEMBL1246085 0.83 CYP2D6 (0.47) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL2142414 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL17611709 0.78 OPRM1 (0.48) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL19341596 0.74 CYP3A4 (0.49) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL1121779 0.73 CYP3A4 (0.51) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL27545187 0.72 KMT2A (0.74) ALDH1A1KMT2AUSP2MAOBKDM4E
SCHEMBL3329277 0.71 SMN1; SMN2 (0.43) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL3328458 0.71 SMN1; SMN2 (0.43) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL3332875 0.71 SMN1; SMN2 (0.43) CYP3A4ALDH1A1KMT2ACYP2D6CYP2C9
SCHEMBL17611770 0.70 CHRM2 (0.69) CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476265-B2 Compounds-801 ASTRAZENECA AB (SE) 2013-07-02 US disclosed
US-8455483-B2 Compounds—801 ASTRAZENECA AB (SE) 2013-06-04 US disclosed
US-20130018037-A1 Compounds - 801 ASTRAZENECA UK LIMITED (GB) 2013-01-17 US disclosed
US-20110053909-A1 Compounds - 801 PULMAGEN THERAPEUTICS (SYNERGY) LIMITED (GB) 2011-03-03 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 (2 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-20130018037-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP3A4 532/4885ALDH1A1 264/4885KMT2A 2392/4885
US-20110053909-A1 Compounds - 801 ADRA2C, ADRB2, ADRB1 CYP3A4 532/4885ALDH1A1 264/4885KMT2A 2392/4885

“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.