SCHEMBL1552969

SCHEMBL1552969

Clc1ccc(-c2nc(COc3ccc(CC4CNCCO4)cc3Cl)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.42
SCN9A Q15858 13/20 0.42
KCNH2 Q12809 4/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GFER P55789 1/20 0.40
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
EPHA2 P29317 1/20 0.40
KDR P35968 1/20 0.40
EPHB4 P54760 1/20 0.40
F2RL3 Q96RI0 3/20 0.37
F2 P00734 1/20 0.36

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
SCHEMBL1552597 1.00 SLC6A4 (0.42) SLC6A4SCN9AKCNH2HTR2AHTR2C
SCHEMBL1552925 0.87 SLC6A4 (0.52) SLC6A4KCNH2HTR2AHTR2CHTR2B
SCHEMBL1551065 0.87 SLC6A4 (0.52) SLC6A4KCNH2HTR2AHTR2CHTR2B
SCHEMBL1553138 0.79 SLC6A4 (0.48) SLC6A4HTR2AHTR2BEGFRERBB2
SCHEMBL1552075 0.79 NMT1 (0.40) SLC6A4HTR2AHTR2BEGFRERBB2
SCHEMBL1552587 0.79 NMT1 (0.40) SLC6A4HTR2AHTR2BEGFRERBB2
SCHEMBL1552180 0.79 SLC6A4 (0.48) SLC6A4HTR2AHTR2BEGFRERBB2
SCHEMBL1552562 0.75 GPR119 (0.47) SCN9AKCNH2ERBB2EPHA2EPHB4
SCHEMBL1552564 0.75 GPR119 (0.47) SCN9AKCNH2ERBB2EPHA2EPHB4
SCHEMBL1552050 0.75 SLC6A4 (0.56) SLC6A4KCNH2HTR2AHTR2CHTR2B

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 10 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 claimed
CN-101107235-B Morpholines as 5HT2C agonists HOFFMANN LA ROCHE 2011-03-16 CN claimed
US-7323466-B2 Morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMAN-LA ROCHE INC. (US) 2008-01-29 US claimed
CN-101107235-A Morpholines as 5HT2C agonists HOFFMANN LA ROCHE (CH) 2008-01-16 CN claimed
US-20060178510-A1 New morpholine derivatives as 5HT2C receptor agonists for the treatment of obesity HOFFMANN-LA ROCHE INC. 2006-08-10 US claimed
EP-1844026-B1 MORPHOLINES AS 5HT2C AGONISTS HOFFMANN LA ROCHE (CH) 2011-04-27 EP disclosed
CN-101107235-B Morpholines as 5HT2C agonists HOFFMANN LA ROCHE 2011-03-16 CN 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
CN-101107235-A Morpholines as 5HT2C agonists HOFFMANN LA ROCHE (CH) 2008-01-16 CN 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

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 SLC6A4 89/4885SCN9A 1785/4885KCNH2 775/4885

“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.