SCHEMBL3059980

SCHEMBL3059980

CCCN(CC1CC1)c1ccc([N+](=O)[O-])c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.43
HCAR3 P49019 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR35 Q9HC97 1/20 0.40
ALDH3A1 P30838 1/20 0.40
SIRT6 Q8N6T7 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 1/20 0.36
S1PR1 P21453 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
MLYCD O95822 1/20 0.35
CRHR1 P34998 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
SCHEMBL3053127 0.87 HCAR3 (0.49) HCAR3TDP1TSHRCYP3A4MAPK1
SCHEMBL3049886 0.86 MAPT (0.51) CNR2HCAR3TDP1TSHRCYP3A4
SCHEMBL3057299 0.83 CNR2 (0.57) CNR2TDP1TSHRCYP3A4MAPK1
SCHEMBL3057218 0.82 AR (0.46) CNR2HCAR3TDP1TSHRCYP3A4
SCHEMBL3059861 0.80 AR (0.46) CNR2HCAR3TDP1TSHRCYP3A4
SCHEMBL5923686 0.79 MAPT (0.50) CNR2TDP1TSHRCYP3A4MAPK1
SCHEMBL6081882 0.78 GPR35 (0.51) HCAR3TDP1CYP3A4MAPK1GPR35
SCHEMBL7024368 0.76 TDP1 (0.44) HCAR3TDP1TSHRCYP3A4MAPK1
SCHEMBL5905638 0.73 ALDH1A1 (0.44) HCAR3TDP1TSHRCYP3A4MAPK1
SCHEMBL18111389 0.73 ALDH3A1 (0.52) CNR2HCAR3TDP1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US claimed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP claimed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 WO claimed
US-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-02 US disclosed
EP-2210603-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE ACCUMULATION OF AMYLOID- B PROTEIN Sumitomo Chemical Company, Limited (JP) 2010-07-28 EP disclosed
US-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US disclosed
EP-1654221-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005000795-A2 ANILINE DERIVATIVED ANDROGEN-, GLUCOCORTICOID-, MINERALCORTICOID- AND PROGESTERONE- RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-06 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 (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-20100222434-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING AMYLOID-BETA PROTEIN ACCUMULATION APP, PSEN1, BACE1 CNR2 4222/4885HCAR3 4408/4885TDP1 1843/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 CNR2 477/4885HCAR3 230/4885TDP1 4707/4885

“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.