SCHEMBL1552498

SCHEMBL1552498

COc1ccccc1CC(O)CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LMNA P02545 3/20 0.45
AGTR1 P30556 1/20 0.45
CYP1A2 P05177 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
MITF O75030 1/20 0.42
DNM1 Q05193 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1552419 1.00 IDO1 (0.46) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL9480536 0.89 IDO1 (0.52) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL7506347 0.84 LMNA (0.59) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL7506353 0.84 LMNA (0.59) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL27757418 0.84 ALDH1A1 (0.50) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL4450092 0.84 IDO1 (0.47) IDO1TAAR1CHRM2CHRM1ALDH1A1
SCHEMBL9239502 0.82 ALDH1A1 (0.49) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL18177742 0.82 LMNA (0.49) IDO1TAAR1LMNAAGTR1CYP1A2
SCHEMBL24129506 0.81 IDO1 (0.52) IDO1TAAR1LMNACHRM2CHRM1
SCHEMBL28334930 0.81 IDO1 (0.52) IDO1TAAR1LMNAAGTR1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844026-B1 MORPHOLINES AS 5HT2C AGONISTS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US disclosed
EP-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 WO disclosed
EP-0390777-A1 CYCLOCARBONATE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 1990-10-10 EP disclosed
WO-1989000565-A1 CYCLOCARBONATE COMPOUNDS DAINIPPON INK & CHEMICALS, INC. (JP) 1989-01-26 WO 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-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B IDO1 749/4885TAAR1 45/4885LMNA 1635/4885

“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.