SCHEMBL3406250

SCHEMBL3406250

C=CC(OCc1ccccc1)[C@@H]1CO1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
BCHE P06276 2/20 0.35
TSHR P16473 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL9248571 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3BCHETSHR
SCHEMBL1371362 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3BCHETSHR
SCHEMBL1339058 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3BCHETSHR
SCHEMBL10126134 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3BCHETSHR
SCHEMBL1339056 1.00 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3BCHETSHR
SCHEMBL7385512 0.78 CYP1A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL7379057 0.78 CYP1A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2CYP2C19
SCHEMBL10591424 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRSLC1A3
SCHEMBL10591418 0.78 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRSLC1A3
SCHEMBL30999474 0.77 BCHE (0.36) SLC6A2SLC6A4SLC6A3BCHECYP2C9

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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2010-05-06 US disclosed
WO-2010042851-A1 ANTIBACTERIAL AMINOGLYCOSIDE ANALOGS ACHAOGEN, INC. (US) 2010-04-15 WO disclosed
EP-2138482-A1 BICYCLIC HETEROCYCLIC COMPOUND Astellas Pharma Inc. (JP) 2009-12-30 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-20100113391-A1 BICYCLIC HETEROCYCLIC COMPOUND P2RY12, P2RY4, P2RY1 SLC6A2 2656/4885SLC6A4 1294/4885SLC6A3 2993/4885

“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.