SCHEMBL3139780

SCHEMBL3139780

O=C(O)c1ccc2[nH]cc(CCCCN3C=CC(C4=CCC=CC4)=CC3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX15 P16050 1/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HTR7 P34969 1/20 0.47
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTR1A P08908 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
DRD2 P14416 1/20 0.40
TSHR P16473 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
SCHEMBL27334854 0.70 KDM4E (0.64) TDP1KDM4EALOX15APEX1KMT2A
Carmoxirole SCHEMBL31723392 0.70 TDP1 (0.98) TDP1KDM4EALOX15APEX1KMT2A
Carmoxirole SCHEMBL146312 0.70 TDP1 (0.98) TDP1KDM4EALOX15APEX1KMT2A
Carmoxirole SCHEMBL5606162 0.70 TDP1 (0.98) TDP1KDM4EALOX15APEX1KMT2A
SCHEMBL9256337 0.69 HTR7 (0.70) TDP1KDM4EALOX15APEX1KMT2A
SCHEMBL9581606 0.69 TDP1 (0.96) TDP1KDM4EALOX15APEX1KMT2A
Carmoxirole SCHEMBL1231058 0.69 TDP1 (1.00) TDP1KDM4EALOX15APEX1KMT2A
SCHEMBL5432115 0.69 HTR7 (0.82) TDP1KDM4EALOX15APEX1KMT2A
SCHEMBL8537712 0.69 MPO (0.67) TDP1KDM4EALOX15APEX1KMT2A
SCHEMBL9582127 0.69 TDP1 (0.84) TDP1KDM4EALOX15APEX1KMT2A

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-8877755-B2 Dopamine-agonist combination therapy for improving sleep quality SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
US-20100004251-A1 Dopamine-Agonist Combination Therapy For Improving Sleep Quality SEPRACOR INC. (US) 2010-01-07 US disclosed
EP-1742624-A2 DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY Sepracor, Inc. (US) 2007-01-17 EP disclosed
US-20050267176-A1 Dopamine-agonist combination therapy for improving sleep quality SEPRACOR INC. (US) 2005-12-01 US disclosed
WO-2005079851-A2 DOPAMINE-AGONIST COMBINATION THERAPY WITH SEDATIVES FOR IMPROVING SLEEP QUALITY SEPRACOR, INC. (US) 2005-09-01 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-20050267176-A1 Dopamine-agonist combination therapy for improving sleep quality DRD2, DRD1, HTR5A TDP1 2656/4885KDM4E 342/4885ALOX15 2470/4885
US-20100004251-A1 Dopamine-Agonist Combination Therapy For Improving Sleep Quality DRD2, DRD1, DRD3 TDP1 2648/4885KDM4E 346/4885ALOX15 2532/4885

“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.