SCHEMBL3057299

SCHEMBL3057299

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.57
CNR1 P21554 1/20 0.49
CYP3A4 P08684 4/20 0.48
MAPK1 P28482 3/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CRHR1 P34998 2/20 0.46
AR P10275 9/20 0.44
SIRT6 Q8N6T7 1/20 0.42
MAPT P10636 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
CES2 O00748 1/20 0.39
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
GLA P06280 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL3046313 0.88 ALDH1A1 (0.44) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL3058238 0.86 CNR2 (0.43) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL3049886 0.84 MAPT (0.51) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL5692227 0.83 AR (0.47) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL3059980 0.83 CNR2 (0.43) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL3047682 0.82 AR (0.43) CNR2CYP3A4MAPK1TSHRAR
SCHEMBL13029961 0.81 CNR2 (0.46) CNR2CNR1ARSIRT6MAPT
SCHEMBL3057218 0.80 AR (0.46) CNR2CNR1CYP3A4MAPK1TSHR
SCHEMBL3047176 0.80 CYP3A4 (0.56) CYP3A4MAPK1TSHRTDP1AR
SCHEMBL3055385 0.80 CYP3A4 (0.49) CYP3A4MAPK1TSHRTDP1AR

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-20060148893-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-07-06 US 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 4222/4885CNR1 3800/4885CYP3A4 3707/4885
US-20060148893-A1 Chemical compounds NR3C2, NR5A1, NR3C1 CNR2 477/4885CNR1 310/4885CYP3A4 180/4885

“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.