SCHEMBL5314836

SCHEMBL5314836

CCOC1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
ALDH1A1 P00352 4/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
POLB P06746 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SIRT6 Q8N6T7 2/20 0.55
HTT P42858 1/20 0.54
ADRB1 P08588 1/20 0.51

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
SCHEMBL19221743 0.92 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL16569991 0.84 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL29225369 0.81 MAPT (0.65) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7293241 0.81 MAPT (0.62) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL5105829 0.80 MAPT (0.58) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL29772033 0.79 SIRT6 (0.58) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6133189 0.79 MAPT (0.56) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL27950762 0.79 MAPT (0.70) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL27774 0.79 MAPT (1.00) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL6714560 0.79 MEN1 (0.73) MAPTALDH1A1LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827082-A Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-12-19 CN disclosed
CN-1976938-B Thienopyrazole derivatives having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2012-08-15 CN disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
CN-1976938-A Thienopyrazole derivatives having PDE7 inhibitory activity ASUBIO PHARMA CO LTD (JP) 2007-06-06 CN disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 MAPT 3096/4885ALDH1A1 1546/4885LMNA 1266/4885

“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.