SCHEMBL12420653

SCHEMBL12420653

Fc1cccc(COc2ccc(OCC3CCCNC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.51
KCNH2 Q12809 3/20 0.47
SCN3A Q9NY46 2/20 0.47
EED O75530 1/20 0.47
NR4A2 P43354 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MAP2K1 Q02750 1/20 0.47
PARP10 Q53GL7 1/20 0.46
MAOA P21397 1/20 0.45
HTR6 P50406 1/20 0.45

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
SCHEMBL12420658 0.85 MAOB (0.56) MAOBKCNH2SCN3ANR4A2SLC6A2
SCHEMBL13107011 0.85 SLC6A2 (0.53) EEDSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL7327361 0.85 SLC6A2 (0.53) MAOBEEDSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7328352 0.84 SLC6A2 (0.52) MAOBEEDSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL16823666 0.84 SLC6A2 (0.52) EEDSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL3163776 0.82 MAP2K1 (0.53) SLC6A2SLC6A4SLC6A3MAP2K1
Hydrochloric Acid SCHEMBL1768943 0.81 MAP2K1 (0.52) SLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL3160166 0.78 EED (0.64) EEDSLC6A2SLC6A3
SCHEMBL7327587 0.77 LTA4H (0.65) EEDSLC6A2SLC6A4SLC6A3MAP2K1
SCHEMBL6293801 0.77 MAP2K1 (0.51) EEDSLC6A2SLC6A4SLC6A3MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R MAOB 222/4885KCNH2 640/4885SCN3A 1515/4885

“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.