SCHEMBL7225700

SCHEMBL7225700

NCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.45
HTT P42858 2/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 1/20 0.40
GRM5 P41594 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
HTR2A P28223 3/20 0.39
HTR7 P34969 3/20 0.39
HTR6 P50406 3/20 0.39
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
CCR6 P51684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6969344 0.84 HTR1A (0.61) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL6969209 0.84 HTR1A (0.61) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL3210395 0.73 DRD2 (0.60) HTR1AHTTKMT2ADRD2DRD4
SCHEMBL9199829 0.73 SIGMAR1 (0.40) HTR2AMAPK1
SCHEMBL5672467 0.72 SIGMAR1 (0.42) HTR2A
Hydrochloric Acid SCHEMBL3672966 0.72 SIGMAR1 (0.49)
Hydrochloric Acid SCHEMBL31232826 0.71 HTR1A (0.57) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL29018180 0.70 HTT (0.42) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL1274938 0.70 HTT (0.73) HTR1AHTTKMT2AALDH1A1LMNA
SCHEMBL7225699 0.68 DRD2 (0.54) HTR1AHTTALDH1A1LMNADRD2

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 HTR1A 46/4885HTT 2202/4885KMT2A 2520/4885
US-20030212062-A1 Morpholinone and morpholine derivatives and uses thereof ADRA1D, ADRA1A, ADRB1 HTR1A 46/4885HTT 2202/4885KMT2A 2520/4885

“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.