SCHEMBL6946887

SCHEMBL6946887

CC(C)(S)CN1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CCR2 P41597 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ESRRG P62508 1/20 0.40

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
SCHEMBL5428090 0.82 DRD4 (0.63) DRD4LMNAALDH1A1POLBHRH3
SCHEMBL4591222 0.79 DRD4 (0.50) DRD4LMNAALDH1A1POLBHRH3
SCHEMBL2477654 0.77 LMNA (0.67) DRD4LMNAALDH1A1HRH3KDM4E
SCHEMBL6431060 0.76 DRD4 (0.41) DRD4LMNAALDH1A1POLBHRH3
SCHEMBL6431187 0.75 MEN1 (0.48) ALDH1A1POLBSIGMAR1KDM4EMAPT
SCHEMBL9720752 0.74 DRD4 (0.77) DRD4LMNAPOLBACHEBACE1
SCHEMBL20665487 0.74 ALDH1A1 (0.55) LMNAALDH1A1POLBHRH3KDM4E
SCHEMBL322305 0.74 HRH3 (0.74) DRD4ALDH1A1POLBHRH3KDM4E
SCHEMBL10503271 0.73 ALDH1A1 (0.56) DRD4ALDH1A1HRH3ACHEGAA
SCHEMBL31341386 0.72 LMNA (0.61) DRD4LMNAALDH1A1KDM4EMAPT

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-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NICOX S.A. (FR) 2003-11-06 US disclosed
US-6593347-B2 Especially a nitrosated and/or nitrosylated arylpropionic acid, arylacetic acid, enolic anilide or an oxicam NITROMED, INC. 2003-07-15 US disclosed
US-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NICOX S.A. (FR) 2002-02-07 US disclosed
US-6297260-B1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NITROMED, INC. 2001-10-02 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-20020016322-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositons and methods of use NOS2, NOS3, NOS1 DRD4 3659/4885LMNA 2101/4885ALDH1A1 1076/4885
US-20030207919-A1 Nitrosated and nitrosylated nonsteroidal antiinflammatory compounds, compositions and methods of use NOS2, NOS1, NOS3 DRD4 3635/4885LMNA 2283/4885ALDH1A1 360/4885

“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.