SCHEMBL1551855

SCHEMBL1551855

COc1ccc(C[C@@H](O)CCl)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.45
ALOX12 P18054 3/20 0.45
LDHA P00338 1/20 0.44
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 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
SCHEMBL1551856 1.00 ALOX15 (0.45) ALOX15ALOX12LDHASTAT3SMN1; SMN2
SCHEMBL11181527 0.87 LDHA (0.58) ALOX15ALOX12LDHASTAT3SMN1; SMN2
SCHEMBL17571962 0.85 TUBB4A (0.47) ALOX15ALOX12LDHASTAT3SMN1; SMN2
SCHEMBL17571985 0.81 GABRA1 (0.54) ALOX15ALOX12LDHASTAT3SMN1; SMN2
SCHEMBL13623727 0.81 SIGMAR1 (0.44) ALOX15ALOX12LDHASMN1; SMN2CRHBP
SCHEMBL1552423 0.78 KMT2A (0.43) SMN1; SMN2CYP3A4MEN1HTTKMT2A
SCHEMBL1552424 0.78 KMT2A (0.43) SMN1; SMN2CYP3A4MEN1HTTKMT2A
SCHEMBL6862682 0.78 ALOX15 (0.51) ALOX15ALOX12LDHASMN1; SMN2CRHBP
SCHEMBL4575838 0.77 TTR (0.54) SMN1; SMN2CRHBPCRHR2TTRDBH
SCHEMBL13623719 0.76 ACACB (0.45) LDHAHPGDMEN1ALDH1A1KMT2A

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 5 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

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 ALOX15 878/4885ALOX12 739/4885LDHA 3532/4885

“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.