SCHEMBL12420545

SCHEMBL12420545

CCc1cccc(-c2cccc(OC3CCNCC3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.51
KHK P50053 1/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 2/20 0.44
NISCH Q9Y2I1 1/20 0.43
SLC6A3 Q01959 2/20 0.42
NMT1 P30419 1/20 0.41

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
SCHEMBL14624277 0.91 HRH1 (0.59) HRH1KHKIKBKBSLC6A2SLC6A4
SCHEMBL24721545 0.90 HRH1 (0.56) HRH1KHKIKBKBCHUKSLC6A2
SCHEMBL21481540 0.86 HRH1 (0.54) HRH1KHKSLC6A2SLC6A4NMT1
SCHEMBL18617341 0.83 CHRNB2 (0.51) HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL12420639 0.82 HRH1 (0.71) HRH1IKBKBCHUKSLC6A2SLC6A4
SCHEMBL18019002 0.80 ALDH1A1 (0.46) HRH1SLC6A2SLC6A4SLC6A3
SCHEMBL14624276 0.80 HRH1 (0.56) HRH1IKBKBNMT1
SCHEMBL13806451 0.78 HRH1 (0.55) HRH1KHKSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL2196129 0.78 HRH1 (0.47) HRH1
SCHEMBL11941056 0.77 ALDH1A1 (0.49) HRH1SLC6A2SLC6A4SLC6A3

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 1 patent. 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

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 HRH1 75/4885KHK 1497/4885IKBKB 285/4885

“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.