SCHEMBL24200094

SCHEMBL24200094

c1ccc(COc2ccc3c(c2)CCCN3Cc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.63
ADRB2 P07550 2/20 0.63
ADRB1 P08588 2/20 0.63
ACHE P22303 1/20 0.57
PDK1 Q15118 1/20 0.55
PDK2 Q15119 1/20 0.55
PDK3 Q15120 1/20 0.55
PDK4 Q16654 1/20 0.55
HRH3 Q9Y5N1 8/20 0.54
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
CYP2D6 P10635 2/20 0.51
SRD5A1 P18405 1/20 0.51

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
SCHEMBL22432716 0.92 HRH3 (0.60) ADRB3ADRB2ADRB1ACHEPDK1
SCHEMBL9194405 0.85 HRH3 (0.53) ADRB3ADRB2ADRB1ACHEPDK1
SCHEMBL3530973 0.84 ADRB3 (0.48) ADRB3ADRB2ADRB1ACHEPDK1
SCHEMBL8196267 0.83 TAAR1 (0.64) ADRB3ADRB2ADRB1ACHEPDK1
SCHEMBL3189233 0.81 ACHE (0.56) ADRB3ADRB2ADRB1ACHEPDK1
SCHEMBL8141384 0.80 HRH3 (0.59) PDK1PDK2PDK3PDK4HRH3
SCHEMBL28757282 0.80 HRH3 (0.63) PDK1PDK2PDK3PDK4HRH3
SCHEMBL13279482 0.78 HRH3 (0.49) ADRB3ADRB2ADRB1PDK1PDK2
SCHEMBL29880799 0.78 ADRB3 (0.50) ADRB3ADRB2ADRB1ACHE
SCHEMBL8118083 0.78 ADRB3 (0.50) ADRB3ADRB2ADRB1ACHE

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-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-04-28 US disclosed
EP-3939954-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE Otsuka Pharmaceutical Co., Ltd. (JP) 2022-01-19 EP 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-20220127206-A1 METHOD FOR INTRODUCING DEUTERATED LOWER ALKYL INTO AMINE MOIETY OF COMPOUND CONTAINING SECONDARY AMINE MGMT, FANCD2, ADAR ADRB3 2259/4885ADRB2 1831/4885ADRB1 2279/4885

“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.