SCHEMBL70658

SCHEMBL70658

COCCOc1ccccc1N1CCOc2cc(C)ccc2N2CCOCCOCCN(CCOCCOCC2)c2ccc(C)cc2OCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.44
HTR1A P08908 3/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
POLB P06746 1/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.42
P2RY12 Q9H244 1/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
KDM1A O60341 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
SCHEMBL16477795 0.88 KCNH2 (0.41) HTR1APOLBMEN1KMT2AALDH1A1
SCHEMBL90902 0.87 KCNH2 (0.42) HTR1APOLBMEN1KMT2AALDH1A1
SCHEMBL12629236 0.86 HTR1A (0.43) DRD2HTR1AHTR2AHTR7ADRA1A
SCHEMBL10088452 0.86 ALDH1A3 (0.45) MEN1KMT2AALDH1A1KCNH2P2RY12
SCHEMBL20630878 0.85 P2RY12 (0.49) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL12528231 0.85 AKR1C3 (0.49) DRD2ADRA1APOLBALDH1A1P2RY12
SCHEMBL13010487 0.85 AKR1C3 (0.49) DRD2ADRA1APOLBALDH1A1P2RY12
SCHEMBL16477808 0.85 KCNH2 (0.43) HTR1APOLBMEN1KMT2AALDH1A1
SCHEMBL25548398 0.83 CCR5 (0.43) DRD2HTR1ASCN9AMEN1KMT2A
SCHEMBL70655 0.79 AKR1C3 (0.49) POLBMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129365-B2 Water-soluble, fluorescent compounds for detection of potassium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-06 US disclosed
US-8129365-B2 Water-soluble, fluorescent compounds for detection of potassium ions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-03-06 US disclosed
US-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 US disclosed
US-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-12-18 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-20080311041-A1 Water-Soluble, Fluorescent Compounds for Detection of Potassium Ions TACR2, KCNJ8, TAC3 DRD2 2411/4885HTR1A 2250/4885HTR2A 1566/4885

“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.