SCHEMBL22340486

SCHEMBL22340486

CCCN(Cc1ccc(OC)cc1)CC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.49
PYCR1 P32322 1/20 0.44
APLNR P35414 1/20 0.42
BCHE P06276 2/20 0.42
AOC3 Q16853 2/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CRHR1 P34998 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 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
SCHEMBL14640182 0.86 HRH3 (0.64) HRH3PYCR1APLNRBCHEAOC3
SCHEMBL22340500 0.83 HRH3 (0.55) HRH3PYCR1AOC3TSHRMAPK1
SCHEMBL29334326 0.80 MAPT (0.59) HRH3BCHE
SCHEMBL9281438 0.80 HRH3 (0.50) HRH3BCHEDRD2DRD3KDM4E
SCHEMBL20871138 0.79 HRH3 (0.55) HRH3BCHE
SCHEMBL20871896 0.78 ALDH1A1 (0.49) HRH3PYCR1APLNRBCHEDRD3
SCHEMBL20871425 0.77 HRH3 (0.53) HRH3BCHE
SCHEMBL22340881 0.77 HRH3 (0.53) HRH3BCHE
SCHEMBL20870804 0.77 HRH3 (0.53) HRH3BCHE
SCHEMBL22340925 0.77 HRH3 (0.53) HRH3BCHE

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-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 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 (2 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 HRH3 71/4885PYCR1 1084/4885APLNR 3099/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A HRH3 88/4885PYCR1 1943/4885APLNR 3455/4885

“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.