SCHEMBL1551932

SCHEMBL1551932

COc1ccc(CC(O)CCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
LDHA P00338 1/20 0.55
SLC6A4 P31645 1/20 0.53
CYP2D6 P10635 2/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
IDO1 P14902 1/20 0.45
ADRB3 P13945 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CALM1 P0DP23 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
SCHEMBL1551930 1.00 POLB (0.55) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL5859651 0.88 LDHA (0.62) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL27906889 0.84 PPARG (0.44) POLBLDHACYP2D6PPARGPPARA
SCHEMBL1815225 0.82 POLB (0.57) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL2481968 0.82 POLB (0.57) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL10928948 0.81 HTT (0.50) CA1CA2ADRB3ALDH1A1HTT
SCHEMBL21327526 0.81 NQO1 (0.50) PPARAALDH1A1SMN1; SMN2
SCHEMBL21327528 0.81 NQO1 (0.50) PPARAALDH1A1SMN1; SMN2
SCHEMBL28222288 0.81 PPARG (0.63) POLBLDHASLC6A4CYP2D6CYP1A2
SCHEMBL4249475 0.81 POLB (0.59) POLBLDHASLC6A4CYP2D6CYP1A2

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 8 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
US-6562808-B1 Calcium channel antagonists effective in treating intestinal diseases caused by abnormal acceleration of the contraction of intestinal tracts such as irritable bowel syndrome, without significant cardiac effects AJINOMOTO CO., INC. (JP) 2003-05-13 US disclosed
EP-1020466-B1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME AJINOMOTO KK (JP) 2003-02-19 EP disclosed
EP-1020466-A1 5,11-DIHYDRODIBENZ[b,e][1,4]OXAZEPINE DERIVATIVES AND MEDICINAL COMPOSITION CONTAINING THE SAME Ajinomoto Co., Inc. (JP) 2000-07-19 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-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HTR2C, HTR1A, HTR1B POLB 4384/4885LDHA 3532/4885SLC6A4 89/4885

“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.