SCHEMBL12420639

SCHEMBL12420639

c1ccc(-c2cccc(OC3CCNCC3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.71
SLC6A2 P23975 2/20 0.51
SLC6A3 Q01959 2/20 0.51
SLC6A4 P31645 1/20 0.51
SYK P43405 2/20 0.50
IKBKB O14920 2/20 0.48
CHUK O15111 1/20 0.48
LCK P06239 1/20 0.48
ROCK1 Q13464 1/20 0.48

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
SCHEMBL5204218 0.84 HRH1 (0.79) HRH1SLC6A2SLC6A3SLC6A4IKBKB
SCHEMBL211130 0.84 HRH1 (1.00) HRH1SLC6A2SLC6A3SLC6A4
SCHEMBL21468838 0.84 HRH1 (1.00) HRH1SLC6A2SLC6A3SLC6A4
SCHEMBL14834207 0.83 SLC6A2 (0.70) HRH1SLC6A2SLC6A3SLC6A4
SCHEMBL2300957 0.83 SLC6A4 (0.53) HRH1SLC6A2SLC6A3SLC6A4
SCHEMBL12420545 0.82 HRH1 (0.51) HRH1SLC6A2SLC6A3SLC6A4IKBKB
Hydrochloric Acid SCHEMBL4443248 0.82 HRH1 (0.96) HRH1SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL1237796 0.82 HRH1 (0.96) HRH1SLC6A2SLC6A3SLC6A4
SCHEMBL13703555 0.80 HRH1 (0.71) HRH1SLC6A2SLC6A3SLC6A4IKBKB
SCHEMBL12735827 0.80 OPRK1 (0.53) HRH1

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 HRH1 75/4885SLC6A2 752/4885SLC6A3 1266/4885

“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.