SCHEMBL7225699

SCHEMBL7225699

NCCCN1CCN(c2ccccc2-c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
HTR1A P08908 4/20 0.54
HTR2A P28223 3/20 0.54
HTR7 P34969 3/20 0.54
HTR6 P50406 3/20 0.54
MAPK1 P28482 2/20 0.49
CYP2D6 P10635 1/20 0.49
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
MITF O75030 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
CCR6 P51684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3210395 0.86 DRD2 (0.60) DRD2HTR1AHTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL31232826 0.80 HTR1A (0.57) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL27351820 0.76 DRD2 (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8828404 0.76 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL3210388 0.76 DRD2 (0.59) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL23536279 0.76 HTR1A (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL29932017 0.76 HTR1A (0.58) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL3482338 0.74 SIGMAR1 (0.72) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL31232849 0.73 DRD2 (0.71) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL9612238 0.73 DRD2 (0.62) DRD2HTR1AHTR2AHTR7HTR6

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
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
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

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 DRD2 1469/4885HTR1A 46/4885HTR2A 145/4885
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 DRD2 1469/4885HTR1A 46/4885HTR2A 145/4885

“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.