SCHEMBL3581797

SCHEMBL3581797

Cc1cccc(OC[C@@H](N)CCOc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.55
DRD4 P21917 2/20 0.55
DRD3 P35462 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5686017 0.81 DRD2 (0.72) DRD2DRD4DRD3TDP1RAB9A
SCHEMBL2063136 0.81 DRD2 (0.72) DRD2DRD4DRD3TDP1RAB9A
SCHEMBL17277367 0.80 SMN1; SMN2 (0.51) DRD2DRD4DRD3TDP1ADRB2
SCHEMBL17277514 0.80 SMN1; SMN2 (0.51) DRD2DRD4DRD3TDP1ADRB2
SCHEMBL27523668 0.80 ADRB2 (0.50) DRD2DRD4ADRB2ADRB1KMT2A
Hydrochloric Acid SCHEMBL27537979 0.78 ADRB2 (0.49) ADRB2ADRB1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL28814341 0.78 SLC2A1 (0.47) DRD2DRD4ADRB2ADRB1KMT2A
SCHEMBL19685914 0.77 SCN4A (0.69) ADRB2ADRB1
SCHEMBL3574069 0.77 SMN1; SMN2 (0.53) DRD2DRD4TDP1ADRB2ADRB1
SCHEMBL18295355 0.76 ADRB2 (0.56) ADRB2ADRB1KMT2AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728005-B2 Ether derivative AJINOMOTO CO., INC. (JP) 2010-06-01 US disclosed
US-20060270693-A1 Ether derivative AJINOMOTO CO., INC. (JP) 2006-11-30 US disclosed
EP-1679296-A1 ETHER DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-07-12 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-20060270693-A1 Ether derivative UROD, IL5, IL17A DRD2 1532/4885DRD4 2154/4885DRD3 927/4885

“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.