SCHEMBL6327248

SCHEMBL6327248

COc1ccc(C(C[C@@H](C)N)c2ccc(OC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP17A1 P05093 1/20 0.45
AOC3 Q16853 3/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ACHE P22303 1/20 0.43
HTR2A P28223 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL6320389 1.00 SLC6A4 (0.55) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL6319526 1.00 SLC6A4 (0.55) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
SCHEMBL11246034 0.94 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19MAOA
Fumaric Acid SCHEMBL11241445 0.87 THRB (0.49) SLC6A4CYP1A2CYP2D6CYP2C19ALDH1A1
Fumaric Acid SCHEMBL11241484 0.87 THRB (0.49) SLC6A4CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL11996686 0.83 SLC6A4 (0.50) SLC6A4CYP1A2CYP2D6CYP2C19CYP17A1
SCHEMBL9391286 0.80 AOC3 (0.49) CYP1A2CYP2D6CYP2C19CYP17A1AOC3
Hydrochloric Acid SCHEMBL9392659 0.80 SLC6A4 (0.48) SLC6A4CYP1A2CYP2D6CYP2C19CYP17A1
SCHEMBL7610044 0.79 KIF11 (0.49) SLC6A4CYP1A2CYP2D6CYP2C19CYP17A1
Hydrochloric Acid SCHEMBL9392657 0.79 CYP1A2 (0.43) SLC6A4CYP1A2CYP2D6CYP2C19MAOB

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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 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-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SLC6A4 1513/4885CYP1A2 1512/4885CYP2D6 1963/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 SLC6A4 1572/4885CYP1A2 1587/4885CYP2D6 2025/4885

“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.