SCHEMBL7225595

SCHEMBL7225595

CC1OCC(=O)N(C(=O)Oc2ccc([N+](=O)[O-])cc2)C1c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 2/20 0.36
FAAH O00519 1/20 0.36
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
ADRA1D P25100 3/20 0.35
KDM1A O60341 1/20 0.35
HRH1 P35367 1/20 0.35
ALDH1A1 P00352 1/20 0.35
THRB P10828 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
SCHEMBL5662288 0.85 ADRA1A (0.42) MGLLCYP1A2CYP2D6FAAHADRA1A
SCHEMBL5658840 0.85 ADRA1A (0.42) MGLLCYP1A2CYP2D6FAAHADRA1A
SCHEMBL8174001 0.85 ADRA1A (0.42) MGLLCYP1A2CYP2D6FAAHADRA1A
SCHEMBL7226122 0.82 MGLL (0.42) MGLLCYP1A2CYP2D6FAAHKDM1A
SCHEMBL7232423 0.81 MGLL (0.39) MGLLCYP1A2CYP2D6FAAH
SCHEMBL7995847 0.79 MGLL (0.39) MGLLKDM1A
SCHEMBL7747880 0.79 MGLL (0.39) MGLLKDM1A
SCHEMBL7747876 0.79 MGLL (0.39) MGLLKDM1A
SCHEMBL7966161 0.77 MGLL (0.43) MGLLCYP1A2CYP2D6MAPTFAAH
SCHEMBL8173301 0.77 MGLL (0.43) MGLLCYP1A2CYP2D6MAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2003-11-13 US disclosed
US-6531471-B2 Antagonists for human alpha 1a receptors; lowering intraocular pressure; inhibiting cholesterol synthesis; relaxing lower urinary tract tissue; treatment of benign prostatic hyperplasia, impotency, cardiac arrhythmia, etc. SYNAPTIC PHARMACEUTICAL CORPORATION 2003-03-11 US disclosed
US-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof SYNAPTIC PHARAMCEUTICAL CORPORATION 2002-06-06 US disclosed
US-6362182-B1 HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; BENIGN PROSTATIC HYPERTROPIC SYNAPTIC PHARMACEUTICAL CORPORATION 2002-03-26 US disclosed
EP-1140876-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2001-10-10 EP disclosed
US-6218390-B1 FOR LOWERING INTRAOCULAR PRESSURE, INHIBITING CHOLESTEROL SYNTHESIS, RELAXING LOWER URINARY TRACT TISSUE, THERAPY OF BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, CARDIAC ARRHYTHMIA, SYMPATHETIC MEDIATED PAIN, MIGRAINE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-04-17 US disclosed
WO-2000035891-A1 MORPHOLINONE AND MORPHOLINE DERIVATIVES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-06-22 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-20020068737-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 MGLL 939/4885CYP1A2 338/4885CYP2D6 1033/4885
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 MGLL 939/4885CYP1A2 338/4885CYP2D6 1033/4885

“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.