SCHEMBL3314947

SCHEMBL3314947

COc1cccc(C2=CCCN(Cc3ccccc3)C2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.61
TMEM97 Q5BJF2 3/20 0.61
DRD4 P21917 3/20 0.61
HTR1A P08908 2/20 0.61
HTR2C P28335 2/20 0.61
HTR2B P41595 2/20 0.61
SLC6A3 Q01959 2/20 0.61
DRD3 P35462 2/20 0.61
CHRM2 P08172 1/20 0.61
CHRM3 P20309 1/20 0.61
ADRA1D P25100 1/20 0.61
ADRA1A P35348 1/20 0.61
ADRA1B P35368 1/20 0.61
ADRA2A P08913 1/20 0.59
ADRA2B P18089 1/20 0.59
ADRA2C P18825 1/20 0.59
SLC6A2 P23975 1/20 0.59
SLC6A4 P31645 1/20 0.59
OPRK1 P41145 1/20 0.59
HTR5A P47898 1/20 0.59

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
SCHEMBL11193322 0.88 SIGMAR1 (0.56) SIGMAR1TMEM97DRD4HTR1AHTR2C
SCHEMBL9828566 0.86 SIGMAR1 (0.60) SIGMAR1TMEM97DRD4HTR1AHTR2C
SCHEMBL11201490 0.84 SIGMAR1 (0.42) SIGMAR1TMEM97DRD4HTR1AHTR2C
SCHEMBL9311038 0.83 ACHE (0.48) DRD4HTR2BSLC6A3DRD3CHRM2
SCHEMBL11202849 0.83 SIGMAR1 (0.44) SIGMAR1TMEM97DRD4HTR1AHTR2C
SCHEMBL10640414 0.82 SIGMAR1 (0.52) SIGMAR1DRD4LMNA
SCHEMBL11198743 0.82 DRD2 (0.52) SIGMAR1TMEM97DRD4HTR1AHTR2C
Methyl Alcohol SCHEMBL11202846 0.81 SIGMAR1 (0.41) SIGMAR1TMEM97DRD4HTR1AHTR2C
SCHEMBL11196336 0.80 GRIN2B (0.50) LMNAALDH1A1MAPTKDM4EMEN1
SCHEMBL11200098 0.80 KDM2B (0.46) SIGMAR1TMEM97DRD4HTR1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139525-B2 N-oxide and/or di-N-oxide derivatives of dopamine receptor stabilizers/modulators displaying improved cardiovascular side-effects profiles TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2015-09-22 US disclosed
US-20100105736-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-04-29 US disclosed
US-4382942-A ANTIEMETICS, PARKINSON*S DISEASE ROUSSEL UCLAF (FR) 1983-05-10 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 (1 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-20100105736-A1 N-OXIDE AND/OR DI-N-OXIDE DERIVATIVES OF DOPAMINE RECEPTOR STABILIZERS/MODULATORS DISPLAYING IMPROVED CARDIOVASCULAR SIDE-EFFECTS PROFILES CHRM4, GPR4, HTR4 SIGMAR1 27/4885TMEM97 332/4885DRD4 13/4885

“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.